Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.58 |
| ▸ | LPAR3 | Q9UBY5 | 8/20 | 0.61 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.61 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.61 |
| ▸ | AKT1 | P31749 | 2/20 | 0.58 |
| ▸ | CDC25A | P30304 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | TERT | O14746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28883666 | 1.00 | LPAR3 (0.61) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL9051802 | 1.00 | LPAR3 (0.61) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| Phosphoric Acid Monododecyl Ester SCHEMBL271509 | 1.00 | LPAR3 (0.61) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL10858725 | 1.00 | LPAR3 (0.61) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| Phosphoric Acid Monotetradecyl Ester SCHEMBL1712593 | 1.00 | LPAR3 (0.61) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL1951141 | 1.00 | LPAR3 (0.61) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL5441454 | 1.00 | LPAR3 (0.61) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL9805681 | 1.00 | LPAR3 (0.61) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| Hexadecyl Dihydrogen Phosphate SCHEMBL258112 | 1.00 | LPAR3 (0.61) | LPAR3LPAR2LPAR1AKT1CDC25A | |
| SCHEMBL28359287 | 1.00 | LPAR3 (0.61) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996033777-A1 | FIRE EXTINGUISHING COMPOSITION | SILICA SALES PROPRIETARY LTD. (AU) | 1996-10-31 | — | — | WO | claimed |
| 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 |