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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.39 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 8/20 | 0.39 |
| ▸ | CTSK | P43235 | 6/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | PTPRA | P18433 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13102992 | 0.93 | CTSS (0.41) | AKT1CTSSCTSKCTSBCTSL | |
| SCHEMBL23007573 | 0.86 | CTSS (0.44) | AKT1CTSSCTSKCTSBCTSL | |
| SCHEMBL13102997 | 0.83 | CTSS (0.47) | AKT1CTSSCTSKCTSBCTSL | |
| SCHEMBL28969900 | 0.80 | CTSS (0.49) | AKT1CTSSCTSKCTSBCTSL | |
| SCHEMBL4295078 | 0.79 | CTSS (0.48) | AKT1CTSSCTSKCTSBCTSL | |
| SCHEMBL16807987 | 0.77 | CTSS (0.47) | AKT1CTSSCTSKCTSBCTSL | |
| SCHEMBL13970822 | 0.77 | CTSS (0.50) | AKT1CTSSCTSKCTSBCTSL | |
| SCHEMBL17884338 | 0.76 | CTSS (0.46) | AKT1CTSSCTSKCTSBCTSL | |
| SCHEMBL15764469 | 0.76 | CTSS (0.56) | CTSSCTSKCTSBCTSL | |
| SCHEMBL29455259 | 0.76 | CYP3A4 (0.43) | SIRT5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140186875-A1 | NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS | MONTANA STATE UNIVERSITY (US) | 2014-07-03 | — | — | US | disclosed |
| US-20100252433-A1 | NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES | NATIONAL SCIENCE FOUNDATION | 2010-10-07 | — | — | US | disclosed |
| EP-2164997-A2 | NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES | Montana State University (US) | 2010-03-24 | — | — | EP | disclosed |
| WO-2009005871-A2 | NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES | MONTANA STATE UNIVERSITY (US) | 2009-01-08 | — | — | WO | 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-20100252433-A1 | NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES | PTMS, CHAMP1, RAB5IF | ADORA1 4739/4885PPARG 4338/4885AKT1 2851/4885 |
“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.