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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | LAP3 | P28838 | 2/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28854278 | 1.00 | TP53 (0.48) | TP53RECQLGLAHPGDTSHR | |
| SCHEMBL28363361 | 1.00 | TP53 (0.48) | TP53RECQLGLAHPGDTSHR | |
| SCHEMBL28079461 | 0.91 | TP53 (0.42) | TP53RECQLGLAHPGDTSHR | |
| SCHEMBL28543936 | 0.89 | TP53 (0.44) | TP53TSHRNR1I2CA2CA1 | |
| SCHEMBL9575743 | 0.82 | TSHR (0.36) | TP53RECQLGLAHPGDTSHR | |
| SCHEMBL6691126 | 0.81 | TP53 (0.50) | TP53RECQLGLAHPGDTSHR | |
| SCHEMBL3924982 | 0.81 | TP53 (0.50) | TP53RECQLGLAHPGDTSHR | |
| SCHEMBL28406519 | 0.81 | LMNA (0.43) | TP53TSHRMAPK1BLMCA2 | |
| SCHEMBL7629661 | 0.81 | TP53 (0.50) | TP53RECQLGLAHPGDTSHR | |
| SCHEMBL9019654 | 0.81 | TP53 (0.50) | TP53RECQLGLAHPGDTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001085105-A1 | A LEAVE-IN FOAMING COMPOSITION FOR STYLING, LIGHTENING AND HIGHLIGHTING HAIR | UNILEVER PLC (GB) | 2001-11-15 | — | — | WO | disclosed |
| EP-0160873-B1 | SOFTENING WASHING AGENT | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-06-26 | — | — | EP | disclosed |
| EP-0161596-A2 | Washing and cleaning agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-11-21 | — | — | EP | disclosed |
| EP-0160873-A2 | Softening washing agent | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-11-13 | — | — | EP | disclosed |