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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.33 |
| ▸ | CA2 | P00918 | 6/20 | 0.33 |
| ▸ | CA12 | O43570 | 5/20 | 0.33 |
| ▸ | CA9 | Q16790 | 5/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7977037 | 0.87 | ALDH1A1 (0.34) | ALDH1A1TSHRCA1CA2CA12 | |
| SCHEMBL7979887 | 0.86 | ALDH1A1 (0.40) | ALDH1A1TSHRCA1CA2CA12 | |
| SCHEMBL7977315 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TSHRCA1CA2PPARG | |
| SCHEMBL7963484 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TSHRCA1CA2PPARG | |
| SCHEMBL7979889 | 0.73 | CA1 (0.38) | ALDH1A1TSHRCA1CA2CA12 | |
| SCHEMBL7974877 | 0.71 | MAOA (0.38) | CA1CA2CA12CA9MEN1 | |
| SCHEMBL7963488 | 0.70 | ALDH1A1 (0.51) | ALDH1A1TSHRCA1CA2PPARG | |
| SCHEMBL8189634 | 0.67 | MAOA (0.34) | MEN1KMT2A | |
| SCHEMBL31476888 | 0.67 | CA1 (0.48) | ALDH1A1TSHRCA1CA2CA12 | |
| SCHEMBL7979845 | 0.66 | CA12 (0.39) | ALDH1A1CA1CA2CA12CA9 |
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 |