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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | RRM1 | P23921 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL28921026 | 1.00 | CA1 (0.47) | CA1EPHX2CNR1GNAI3GNAO1 | |
| SCHEMBL9327564 | 1.00 | CA1 (0.47) | CA1EPHX2CNR1GNAI3GNAO1 | |
| SCHEMBL5158512 | 0.92 | EPHX2 (0.60) | CA1EPHX2CNR1 | |
| SCHEMBL20353951 | 0.85 | CNR1 (0.45) | CA1CNR1GNAI3GNAO1GNAI1 | |
| SCHEMBL22683341 | 0.85 | GNAI3 (0.47) | CA1EPHX2CNR1GNAI3GNAO1 | |
| SCHEMBL6856628 | 0.85 | GNAI3 (0.47) | CA1EPHX2CNR1GNAI3GNAO1 | |
| SCHEMBL15368075 | 0.83 | DPP7 (0.46) | CA1EPHX2CNR1GNAI3GNAO1 | |
| SCHEMBL13810574 | 0.82 | CA1 (0.53) | CA1CNR1GNAI3GNAO1GNAI1 | |
| SCHEMBL11181600 | 0.81 | GNAI3 (0.54) | CA1CNR1GNAI3GNAO1GNAI1 | |
| SCHEMBL18950344 | 0.81 | EPHX1 (0.52) | CA1CNR1GNAI3GNAO1GNAI1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE29182-E | POLYPHOSPHONIC ACIDS | THE PROCTER & GAMBLE COMPANY (US) | 1977-04-12 | — | — | US | disclosed |