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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 known ✓ | O75899 | 1/20 | 0.38 |
| ▸ | GABBR1 known ✓ | Q9UBS5 | 1/20 | 0.38 |
| ▸ | P2RY1 known ✓ | P47900 | 1/20 | 0.32 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.32 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | WRN | Q14191 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6698206 | 0.86 | MDM2 (0.36) | TOP2ATOP2BMEN1KMT2AMAPT | |
| SCHEMBL3815691 | 0.85 | GABBR2 (0.43) | GABBR2GABBR1TOP2ATOP2BMEN1 | |
| SCHEMBL6692752 | 0.84 | GABBR2 (0.42) | GABBR2GABBR1TOP2ATOP2BMEN1 | |
| SCHEMBL3807916 | 0.71 | ALDH1A1 (0.37) | MEN1KMT2AMAPTNPSR1RAB9A | |
| SCHEMBL6698205 | 0.70 | ALDH1A1 (0.36) | MEN1KMT2AMAPTNPSR1RAB9A | |
| SCHEMBL3809899 | 0.69 | ALDH1A1 (0.37) | GABBR2GABBR1MEN1KMT2AMAPT | |
| SCHEMBL3809788 | 0.69 | ALDH1A1 (0.36) | MEN1KMT2AMAPTNPSR1RAB9A | |
| SCHEMBL3809657 | 0.67 | ALDH1A1 (0.34) | MEN1KMT2AMAPTNPSR1RAB9A | |
| SCHEMBL6692960 | 0.65 | MAPT (0.31) | MEN1KMT2AMAPTNPSR1MDM2 | |
| Hydrochloric Acid SCHEMBL6702079 | 0.64 | CA12 (0.39) | MEN1KMT2AMAPTNPSR1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6797712-B2 | Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain | GRUENENTHAL GMBH (DE) | 2004-09-28 | — | — | US | disclosed |
| US-20040030156-A1 | Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain | GRUENENTHAL GMBH (DE) | 2004-02-12 | — | — | US | 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 (1 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-20040030156-A1 | Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain | AADAT, TRPA1, CACNA1I | GABBR2 407/4885GABBR1 422/4885P2RY1 88/4885 |
“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.