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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 15/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 15/20 | 0.37 |
| ▸ | CA12 known ✓ | O43570 | 5/20 | 0.37 |
| ▸ | CA4 known ✓ | P22748 | 4/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 14/20 | 0.37 |
| ▸ | CA7 | P43166 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6234782 | 1.00 | RECQL (0.62) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL28554168 | 1.00 | RECQL (0.62) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL453765 | 1.00 | RECQL (0.62) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL1232123 | 1.00 | RECQL (0.62) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL3366402 | 1.00 | RECQL (0.62) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL345943 | 1.00 | RECQL (0.62) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL23573612 | 1.00 | RECQL (0.62) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL27888910 | 0.98 | RECQL (0.60) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL5445742 | 0.96 | RECQL (0.57) | RECQLTSHRGLAHPGDMAPK1 | |
| Potassium Ion SCHEMBL4898353 | 0.96 | RECQL (0.57) | RECQLTSHRGLAHPGDMAPK1 |
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-2012009238-A2 | NEW TYPES OF ELECTRODEPOSITED POLYMER COATINGS WITH REVERSIBLE WETTABILITY AND ELECTRO-OPTICAL PROPERTIES | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2012-01-19 | — | — | WO | disclosed |
| EP-1372383-A2 | ANTIMICROBIAL FORMULATIONS | Kimberly-Clark Worldwide, Inc. (US) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002080668-A2 | ANTIMICROBIAL FORMULATIONS | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2002-10-17 | — | — | WO | disclosed |
| US-3981907-A | Method of producing highly unsaturated compounds by reacting 1,3-conjugated diene compounds with derivatives of dimers of butadienes and products | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) | 1976-09-21 | — | — | US | disclosed |