Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.37 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.35 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28993828 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL30319229 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL30319222 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL29516771 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL28993847 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL30319234 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL28993835 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL30319236 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL30319224 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA | |
| SCHEMBL30319237 | 0.95 | ALDH1A1 (0.44) | TSHRMAPTABCC4ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0317433-B1 | Pesticide composition | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 1995-12-27 | — | — | EP | claimed |