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 | |
|---|---|---|---|---|
| ▸ | LPAR1 | Q92633 | 5/20 | 0.58 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.54 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.54 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.44 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.44 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.44 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286658 | 0.92 | LPAR1 (0.68) | LPAR1LPAR3LPAR2MGLLABCC3 | |
| SCHEMBL2335063 | 0.89 | LPAR1 (0.57) | LPAR1LPAR3LPAR2MGLLABCC3 | |
| SCHEMBL2341435 | 0.87 | LPAR1 (0.53) | LPAR1LPAR3LPAR2MGLLABCC3 | |
| SCHEMBL3714449 | 0.87 | LPAR1 (0.58) | LPAR1LPAR3LPAR2MGLLABCC3 | |
| SCHEMBL7708 | 0.86 | LPAR1 (0.54) | LPAR1LPAR3LPAR2MGLLABCC3 | |
| SCHEMBL2343392 | 0.84 | LPAR1 (0.51) | LPAR1LPAR3LPAR2MGLLABCC3 | |
| SCHEMBL2334165 | 0.84 | LPAR1 (0.49) | LPAR1LPAR3LPAR2MGLLABCC3 | |
| SCHEMBL2341771 | 0.84 | LPAR1 (0.60) | LPAR1LPAR3LPAR2MGLLABCC3 | |
| SCHEMBL2336507 | 0.83 | LPAR1 (0.51) | LPAR1LPAR3LPAR2MGLLABCC3 | |
| SCHEMBL2761317 | 0.83 | LPAR1 (0.50) | LPAR1LPAR3LPAR2MGLLABCC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011159550-A2 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND USES THEREOF | AMIDRA PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | WO | claimed |
| WO-2011091167-A2 | LYSOPHOSPHATIDIC ACID RECEPTOR TARGETING FOR SCLERODERMA AND OTHER FIBROTIC DISEASES | THE GENERAL HOSPITAL CORPORATION (US) | 2011-07-28 | — | — | WO | disclosed |