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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.45 |
| ▸ | CA2 | P00918 | 10/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trientine SCHEMBL29385082 | 0.86 | CA1 (0.47) | CA1CA2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL5735199 | 0.86 | ALDH1A1 (0.51) | CA1CA2ALDH1A1CYP2C9LMNA | |
| SCHEMBL8616624 | 0.83 | ALDH1A1 (0.46) | CA1CA2ALDH1A1CYP1A2CYP2C9 | |
| Gamma-Aminobutyric Acid SCHEMBL10364387 | 0.83 | KMT2A (0.48) | ALDH1A1CYP1A2CYP2C9CYP2D6MAPK1 | |
| Beta-Alanine SCHEMBL18230715 | 0.83 | CYP2D6 (0.49) | CA1CA2ALDH1A1CYP1A2CYP2C9 | |
| Glycine SCHEMBL5685912 | 0.81 | CYP2C9 (0.51) | CA1CA2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9391989 | 0.81 | CA1 (0.42) | CA1CA2ALDH1A1CYP1A2CYP2C9 | |
| Sarcosine SCHEMBL31170672 | 0.80 | ALDH1A1 (0.50) | CA1CA2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL14993355 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2D6MAPK1LMNA | |
| Adipic Acid SCHEMBL5313716 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP2C9MAPK1LMNAHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0941120-A4 | BRANCHED PEPTIDE LINKERS | BRISTOL MYERS SQUIBB CO (US) | 2004-08-18 | — | — | EP | disclosed |
| EP-0941120-A1 | BRANCHED PEPTIDE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-09-15 | — | — | EP | disclosed |
| WO-1998019705-A1 | BRANCHED PEPTIDE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |