Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 14/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 6/20 | 0.47 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | TYK2 | P29597 | 2/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 9/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 2/20 | 0.36 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12873534 | 0.90 | ITGB1 (0.54) | ITGB1ITGA5JAK2TYK2ITGA4 | |
| SCHEMBL1121063 | 0.89 | ITGB1 (0.54) | ITGB1ITGA5JAK2TYK2ITGA4 | |
| SCHEMBL1121125 | 0.87 | ITGB1 (0.46) | ITGB1ITGA5JAK2TYK2ITGA4 | |
| SCHEMBL1121311 | 0.83 | ITGB1 (0.46) | ITGB1ITGA5ITGA4ITGAVITGB3 | |
| SCHEMBL14394414 | 0.82 | ITGB1 (0.43) | ITGB1ITGA5JAK2TYK2ITGA4 | |
| SCHEMBL2712833 | 0.73 | ITGB1 (0.54) | ITGB1ITGA5ITGA4ITGAVITGB3 | |
| SCHEMBL1121309 | 0.72 | ITGB1 (0.53) | ITGB1ITGA5ITGA4ITGAVITGB3 | |
| SCHEMBL1121030 | 0.72 | ITGB1 (0.46) | ITGB1ITGA5ITGA4ITGAVITGB3 | |
| SCHEMBL12889026 | 0.71 | ITGB1 (0.53) | ITGB1ITGA5ITGA4ITGAVITGB3 | |
| SCHEMBL4073171 | 0.65 | ITGB1 (0.83) | ITGB1ITGA5ITGA4ITGAVITGB3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9162988-B2 | Therapeutic or prophylactic agent for allergic dermatitis | TORAY INDUSTRIES, INC. (JP) | 2015-10-20 | — | — | US | disclosed |
| US-20130150390-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS | TORAY INDUSTRIES, INC. (JP) | 2013-06-13 | — | — | US | disclosed |
| EP-1840121-B1 | GLYCINE DERIVATIVE AND USE THEREOF | TORAY INDUSTRIES (JP) | 2012-08-29 | — | — | EP | disclosed |
| EP-2039687-B1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS | TORAY INDUSTRIES (JP) | 2012-05-02 | — | — | EP | disclosed |
| EP-2042171-B1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS | TORAY INDUSTRIES (JP) | 2011-05-11 | — | — | EP | disclosed |
| US-7893046-B2 | agent comprises as an effective ingredient a glycine derivative or a pharmaceutically acceptable salt thereof, for example [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid] | TORAY INDUSTRIES, INC. (JP) | 2011-02-22 | — | — | US | disclosed |
| EP-2033637-B1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA | TORAY INDUSTRIES (JP) | 2011-02-09 | — | — | EP | disclosed |
| US-7879837-B2 | administering glycine derivatives such as (E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid, used for the treatment of nervous system disorders | TORAY INDUSTRIES, INC. (JP) | 2011-02-01 | — | — | US | disclosed |
| US-20090275599-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS | TORAY INDUSTRIES, INC. (JP) | 2009-11-05 | — | — | US | disclosed |
| US-20090253724-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA | TORAY INDUSTRIES, INC. (JP) | 2009-10-08 | — | — | US | disclosed |
| US-7566724-B2 | Glycine derivative and use thereof | TORAY INDUSTRIES, INC. (JP) | 2009-07-28 | — | — | US | disclosed |
| US-20090093508-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS | TORAY INDUSTRIES, INC. (JP) | 2009-04-09 | — | — | US | disclosed |
| EP-2042171-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS | Toray Industries, Inc. (JP) | 2009-04-01 | — | — | EP | disclosed |
| EP-2039687-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS | Toray Industries, Inc. (JP) | 2009-03-25 | — | — | EP | disclosed |
| EP-2033637-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA | Toray Industries, Inc. (JP) | 2009-03-11 | — | — | EP | disclosed |
| US-20080085910-A1 | Glycine Derivative and Use Thereof | TORAY INDUSTRIES, INC. (JP) | 2008-04-10 | — | — | US | disclosed |
| EP-1840121-A1 | GLYCINE DERIVATIVE AND USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2007-10-03 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090093508-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS | HRH2, TSLP, ENPEP | ITGB1 3125/4885ITGA5 1624/4885JAK2 1884/4885 |
| US-20130150390-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS | HRH2, TSLP, ENPEP | ITGB1 3125/4885ITGA5 1624/4885JAK2 1884/4885 |
| US-20080085910-A1 | Glycine Derivative and Use Thereof | GNMT, SI, SLC7A11 | ITGB1 3151/4885ITGA5 4645/4885JAK2 2112/4885 |
| US-20090275599-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS | PMP22, MGMT, ENPEP | ITGB1 3751/4885ITGA5 3094/4885JAK2 3977/4885 |
| US-20090253724-A1 | THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA | MCL1, ENPEP, SLC7A1 | ITGB1 3585/4885ITGA5 1685/4885JAK2 585/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.