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 | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 8/20 | 0.59 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.59 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.59 |
| ▸ | AKT1 | P31749 | 2/20 | 0.56 |
| ▸ | CDC25A | P30304 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | TERT | O14746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid Monodecyl Ester SCHEMBL28359660 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| Hexadecyl Dihydrogen Phosphate SCHEMBL5680624 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL28355333 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL3784849 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| Phosphoric Acid Monododecyl Ester SCHEMBL3893034 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| Hexadecyl Dihydrogen Phosphate SCHEMBL483790 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL11255117 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL28359340 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL28359276 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| Phosphoric Acid Monotetradecyl Ester SCHEMBL28355509 | 1.00 | LPAR3 (0.59) | LPAR3LPAR2LPAR1AKT1CDC25A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110791964-B | Treating agent for elastic fiber and elastic fiber | 竹本油脂株式会社 | 2020-10-23 | — | — | CN | disclosed |
| CN-110791964-A | Treating agent for elastic fiber and elastic fiber | 竹本油脂株式会社 | 2020-02-14 | — | — | CN | disclosed |