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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.38 |
| ▸ | PTGIR known ✓ | P43119 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL211347 | 0.96 | NPSR1 (0.44) | NPSR1HTTTP53CYP2D6CYP2C19 | |
| SCHEMBL9753625 | 0.81 | CA12 (0.53) | NPSR1HTTTP53CYP2D6CYP2C19 | |
| SCHEMBL4298743 | 0.79 | HTT (0.46) | NPSR1HTTTP53CYP2D6CYP2C19 | |
| SCHEMBL9585217 | 0.78 | ALDH1A1 (0.45) | NPSR1HTTTP53CYP2D6CYP2C19 | |
| SCHEMBL11121870 | 0.78 | NPSR1 (0.45) | NPSR1HTTTP53CYP2D6CYP2C19 | |
| SCHEMBL11620656 | 0.74 | NPSR1 (0.42) | NPSR1HTTTP53CYP2D6CYP2C19 | |
| SCHEMBL11117629 | 0.73 | HTT (0.41) | NPSR1HTTTP53CYP2D6CYP2C19 | |
| SCHEMBL3767155 | 0.72 | CA12 (0.61) | NPSR1HTTMAPTKMT2APOLB | |
| SCHEMBL935444 | 0.71 | HTT (0.54) | NPSR1HTTTP53MAPTKDM4E | |
| SCHEMBL10855054 | 0.71 | NPSR1 (0.50) | NPSR1HTTTP53MAPTKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0116988-A1 | Process for removing heavy metals from aqueous media | UNIE VAN KUNSTMESTFABRIEKEN B.V. (NL) | 1984-08-29 | — | — | EP | disclosed |