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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.35 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5886409 | 0.79 | CA4 (0.38) | CA4FAHD1CA1MEN1LDHA | |
| SCHEMBL5886549 | 0.73 | CA4 (0.33) | CA4FAHD1CA1 | |
| SCHEMBL31220423 | 0.71 | CA4 (0.38) | CA4FAHD1CA1MEN1LDHA | |
| Potassium Ion SCHEMBL16910245 | 0.71 | CA4 (0.38) | CA4FAHD1MEN1LDHABLM | |
| SCHEMBL11580119 | 0.71 | CA4 (0.32) | CA4FAHD1CA1 | |
| SCHEMBL10918913 | 0.69 | CA4 (0.30) | CA4FAHD1 | |
| SCHEMBL30932964 | 0.67 | CYP3A4 (0.39) | CA4FAHD1CA1LMNA | |
| Lithium Ion SCHEMBL5016617 | 0.67 | — | — | |
| Bicarbonate SCHEMBL29433967 | 0.66 | — | — | |
| Bicarbonate SCHEMBL16945860 | 0.66 | — | — |
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-4182718-A | BUILDERS, SQUESTRANTS, WATER SOFTENERS | MONSANTO COMPANY (US) | 1980-01-08 | — | — | US | disclosed |
| US-4107091-A | COBALT, ALUMINUM AND ZINC OXIDES | BATTELLE DEVELOPMENT CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |
| US-4092348-A | Octasodium-1,1,2,2,4,4,5,5-cyclohexane octacarboxylate and compositions and methods employing same | MONSANTO COMPANY (US) | 1978-05-30 | — | — | US | disclosed |
| US-4092348-A | Octasodium-1,1,2,2,4,4,5,5-cyclohexane octacarboxylate and compositions and methods employing same | MONSANTO COMPANY (US) | 1978-05-30 | — | — | US | disclosed |
| US-3997582-A | Process and catalyst for synthesizing a gaseous hydrocarbon mixture having a high methane content from carbon monoxide and hydrogen | BATTELLE DEVELOPMENT CORPORATION (US) | 1976-12-14 | — | — | US | disclosed |