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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
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 | 0.90 | CA1 (0.47) | ALDH1A1CYP2C9CYP1A2LMNATDP1 | |
| Diethylamine SCHEMBL3300840 | 0.86 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP1A2LMNATDP1 | |
| SCHEMBL9391989 | 0.84 | CA1 (0.42) | ALDH1A1CYP2C9CYP1A2LMNATDP1 | |
| SCHEMBL6534815 | 0.83 | CA1 (0.45) | ALDH1A1CYP2C9CYP1A2LMNAHTT | |
| Propylamine SCHEMBL6911004 | 0.83 | CYP2C9 (0.49) | ALDH1A1CYP2C9CYP1A2LMNATDP1 | |
| Putrescine SCHEMBL10842435 | 0.83 | CYP2C9 (0.49) | ALDH1A1CYP2C9CYP1A2LMNATDP1 | |
| SCHEMBL11546476 | 0.83 | CYP2C9 (0.49) | ALDH1A1CYP2C9CYP1A2LMNATDP1 | |
| Ethylenediamine SCHEMBL11226382 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP1A2LMNATDP1 | |
| Ethylenediamine SCHEMBL769088 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP1A2LMNATDP1 | |
| Ethylamine SCHEMBL3808345 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP2C9CYP1A2LMNATDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0558047-B1 | Copolymer having amino group and process for production thereof | DAI ICHI KOGYO SEIYAKU CO LTD (JP) | 1998-05-20 | — | — | EP | disclosed |
| EP-0558047-A2 | Copolymer having amino group and process for production thereof | DAI-ICHI KOGYO SEIYAKU Co., Ltd. (JP) | 1993-09-01 | — | — | EP | disclosed |
| US-4605744-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1986-08-12 | — | — | US | disclosed |
| US-4537969-A | AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS | HOFFMANN-LA ROCHE INC. (US) | 1985-08-27 | — | — | US | disclosed |
| EP-0148283-A1 | Novel penicillanic acid derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-07-17 | — | — | EP | disclosed |
| US-4431653-A | ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE | HOFFMANN-LA ROCHE INC. (US) | 1984-02-14 | — | — | US | disclosed |