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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.35 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.42 |
| ▸ | TGM2 | P21980 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 3/20 | 0.36 |
| ▸ | F13A1 | P00488 | 1/20 | 0.35 |
| ▸ | TGM1 | P22735 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP7 | P09237 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7963504 | 1.00 | ITGB3 (0.42) | ITGB3ITGA2BTGM2ALDH1A1TSHR | |
| SCHEMBL7973775 | 0.91 | ALB (0.40) | ITGB3TGM2ALBF13A1TGM1 | |
| SCHEMBL7977393 | 0.91 | ALB (0.40) | ITGB3TGM2ALBF13A1TGM1 | |
| SCHEMBL7974901 | 0.80 | EPHX2 (0.32) | ITGB3ITGA2BTGM2ALDH1A1TSHR | |
| SCHEMBL7973789 | 0.78 | FOLH1 (0.41) | ITGB3TGM2ALBFOLH1 | |
| SCHEMBL7973780 | 0.78 | FOLH1 (0.41) | ITGB3TGM2ALBFOLH1 | |
| SCHEMBL7979838 | 0.71 | ALDH1A1 (0.34) | ITGB3ITGA2BTGM2ALDH1A1TSHR | |
| SCHEMBL7977398 | 0.69 | FOLH1 (0.38) | ALBMMP1FOLH1 | |
| SCHEMBL7975044 | 0.68 | NOD1 (0.43) | ALBFOLH1 | |
| SCHEMBL7979844 | 0.65 | CA1 (0.45) | ITGB3ITGA2BALDH1A1TSHRALB |
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 | claimed |