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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 7/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 7/20 | 0.32 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.30 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 7/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 2/20 | 0.30 |
| ▸ | CA6 | P23280 | 2/20 | 0.30 |
| ▸ | CA5A | P35218 | 2/20 | 0.30 |
| ▸ | CA7 | P43166 | 2/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10989863 | 0.84 | CA1 (0.50) | CA1CA2CA9KDM4EUSP2 | |
| SCHEMBL2696775 | 0.84 | CA1 (0.50) | CA1CA2CA9KDM4EUSP2 | |
| SCHEMBL27837454 | 0.82 | — | — | |
| SCHEMBL11056239 | 0.82 | — | — | |
| Water SCHEMBL2063952 | 0.82 | CA1 (0.48) | CA1CA2CA9KDM4EUSP2 | |
| SCHEMBL10888103 | 0.78 | CA1 (0.50) | CA1CA2CA9KDM4EUSP2 | |
| SCHEMBL10889193 | 0.78 | CA1 (0.50) | CA1CA2CA9KDM4EUSP2 | |
| SCHEMBL10891616 | 0.78 | CA1 (0.50) | CA1CA2CA9KDM4EUSP2 | |
| SCHEMBL10888223 | 0.78 | CA1 (0.50) | CA1CA2CA9KDM4EUSP2 | |
| SCHEMBL10890021 | 0.78 | CA1 (0.50) | CA1CA2CA9KDM4EUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4520154-A | IMPROVED PHYSICAL PROPERTIES | MONSANTO EUROPE, S.A. (BE) | 1985-05-28 | — | — | US | disclosed |
| EP-0070143-B1 | ORGANIC THIOSULPHATES AND THIOSULPHONATES USEFUL AS STABILISING AGENTS FOR RUBBER VULCANISATES | MONSANTO EUROPE S.A./N.V. (BE) | 1985-02-20 | — | — | EP | disclosed |
| EP-0070143-A1 | Organic thiosulphates and thiosulphonates useful as stabilising agents for rubber vulcanisates | MONSANTO EUROPE S.A./N.V. (BE) | 1983-01-19 | — | — | EP | disclosed |