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 | 7/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 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 | |
|---|---|---|---|---|
| SCHEMBL6911314 | 0.88 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1LMNAALBCYP2C9 | |
| SCHEMBL8986422 | 0.88 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1LMNAALBCYP2C9 | |
| SCHEMBL6534815 | 0.86 | CA1 (0.45) | ALDH1A1LMNACYP2C9KDM4ECA2 | |
| Stearic Acid SCHEMBL7019438 | 0.85 | GPR84 (0.53) | ALDH1A1TSHRTDP1S1PR3MCHR1 | |
| Undecanoate SCHEMBL7057712 | 0.85 | GPR84 (0.53) | ALDH1A1TSHRTDP1S1PR3MCHR1 | |
| Octanoic Acid SCHEMBL8210287 | 0.85 | GPR84 (0.53) | ALDH1A1TSHRTDP1S1PR3MCHR1 | |
| Hexanoate SCHEMBL8208200 | 0.84 | AKR1B1 (0.52) | ALDH1A1LMNAALBCYP2C9TSHR | |
| SCHEMBL6906196 | 0.84 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1LMNAALBCYP2C9 | |
| Dodecane SCHEMBL7126605 | 0.83 | MCHR1 (0.56) | ALDH1A1L3MBTL1LMNAALBCYP2C9 | |
| Decane SCHEMBL17004268 | 0.83 | MCHR1 (0.56) | ALDH1A1L3MBTL1LMNAALBCYP2C9 |
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-0933379-B1 | NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE | SHIONOGI & CO (JP) | 2006-03-22 | — | — | EP | disclosed |
| US-6319902-B1 | TO ACTIVATE THE CENTRAL NERVOUS SYSTEM, SUCH AS, FOR EXAMPLE, SUSTAINED ACETYLCHOLINE RELEASING ACTION, ANTI-RESERPINE ACTION AND LOCOMOTOR INCREMENT | SHIONOGI & CO., LTD. (JP) | 2001-11-20 | — | — | US | disclosed |
| EP-0933379-A1 | NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE | SHIONOGI & CO., LTD. (JP) | 1999-08-04 | — | — | EP | disclosed |