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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10557351 | 0.88 | CA1 (0.48) | CA1CA2LMNAMAPTHPGD | |
| SCHEMBL8773328 | 0.85 | TSHR (0.48) | FKBP1ATSHRKMT2AALDH1A1 | |
| SCHEMBL19234323 | 0.85 | TSHR (0.48) | FKBP1ATSHRKMT2AALDH1A1 | |
| SCHEMBL6165123 | 0.85 | TSHR (0.48) | FKBP1ATSHRKMT2AALDH1A1 | |
| SCHEMBL2679496 | 0.85 | TSHR (0.48) | FKBP1ATSHRKMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL1784261 | 0.84 | TSHR (0.50) | FKBP1ATSHRKMT2AALDH1A1 | |
| SCHEMBL1323668 | 0.82 | TSHR (0.51) | CA1CA2LMNAMAPTHPGD | |
| SCHEMBL1323670 | 0.82 | TSHR (0.51) | CA1CA2LMNAMAPTHPGD | |
| SCHEMBL11607523 | 0.81 | CA1 (0.47) | CA1CA2LMNAMAPTHPGD | |
| SCHEMBL9699519 | 0.81 | TSHR (0.50) | CA1CA2LMNAMAPTHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4590178-A | DIURETICS | AJINOMOTO COMPANY, INCORPORATED (JP) | 1986-05-20 | — | — | US | disclosed |
| US-4536395-A | DIPEPTIDES | AJINOMOTO CO., INC. (JP) | 1985-08-20 | — | — | US | disclosed |
| US-4472381-A | Amino acid derivatives, methods of preparing said derivatives and antihypertensive drugs containing them | AJINOMOTO COMPANY INCORPORATED (JP) | 1984-09-18 | — | — | US | disclosed |
| EP-0085488-A2 | Amino acid derivatives and antihypertensive drugs containing them | AJINOMOTO CO., INC. (JP) | 1983-08-10 | — | — | EP | disclosed |