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 | 5/20 | 0.40 |
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.37 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31590357 | 0.84 | CA12 (0.38) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL28172345 | 0.83 | RECQL (0.44) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL29166615 | 0.81 | RECQL (0.52) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL29166141 | 0.81 | RECQL (0.52) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL11787673 | 0.80 | RECQL (0.42) | RECQLGLAHPGDTSHRMAPK1 | |
| SCHEMBL8372616 | 0.78 | TP53 (0.47) | CA2ZDHHC7CA1TP53GPR84 | |
| SCHEMBL3690657 | 0.78 | TP53 (0.47) | CA2ZDHHC7CA1TP53GPR84 | |
| SCHEMBL5461425 | 0.78 | TP53 (0.47) | CA2ZDHHC7CA1TP53GPR84 | |
| Lithium Ion SCHEMBL29166844 | 0.78 | RECQL (0.47) | RECQLGLAHPGDTSHRMAPK1 | |
| Potassium Ion SCHEMBL29166131 | 0.78 | RECQL (0.47) | RECQLGLAHPGDTSHRMAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5393452-A | Improved antistatic properties | GENERAL ELECTRIC COMPANY (US) | 1995-02-28 | — | — | US | disclosed |
| EP-0598531-A2 | 2 in 1 shampoo and conditioner comprising a silicone-polyether copolymer | GENERAL ELECTRIC COMPANY (US) | 1994-05-25 | — | — | EP | disclosed |
| EP-0208533-B1 | SHAMPOO COMPOSITIONS AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 1991-04-10 | — | — | EP | disclosed |
| US-4704272-A | HAIR CONDITIONERS | THE PROCTER & GAMBLE COMPANY (US) | 1987-11-03 | — | — | US | disclosed |
| EP-0208533-A2 | Shampoo compositions and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 1987-01-14 | — | — | EP | disclosed |