Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.30 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 4/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.30 |
| ▸ | HPN | P05981 | 1/20 | 0.30 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.30 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7973789 | 0.82 | FOLH1 (0.41) | TGM2ITGB3CNR2ITGB1ITGA4 | |
| SCHEMBL7973780 | 0.82 | FOLH1 (0.41) | TGM2ITGB3CNR2ITGB1ITGA4 | |
| SCHEMBL7963511 | 0.80 | ITGB3 (0.42) | TGM2ALDH1A1TSHRITGB3ITGA2B | |
| SCHEMBL7963504 | 0.80 | ITGB3 (0.42) | TGM2ALDH1A1TSHRITGB3ITGA2B | |
| SCHEMBL7979838 | 0.75 | ALDH1A1 (0.34) | TGM2ALDH1A1TSHRITGB3ITGA2B | |
| SCHEMBL7977393 | 0.70 | ALB (0.40) | TGM2ITGB3 | |
| SCHEMBL7973775 | 0.70 | ALB (0.40) | TGM2ITGB3 | |
| SCHEMBL7963484 | 0.67 | ALDH1A1 (0.61) | TGM2ALDH1A1TSHRITGB3ITGA2B | |
| SCHEMBL7977315 | 0.67 | ALDH1A1 (0.61) | TGM2ALDH1A1TSHRITGB3ITGA2B | |
| SCHEMBL7963487 | 0.66 | CA12 (0.41) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |