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 | 3/20 | 0.50 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.50 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.50 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.46 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.51 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11231658 | 0.84 | KMT2A (0.59) | KMT2AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11233103 | 0.83 | KMT2A (0.58) | KMT2AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11513654 | 0.77 | KMT2A (0.72) | KMT2AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11214389 | 0.77 | CA2 (0.70) | CYP1A2CYP2D6CA1CA2ALDH1A1 | |
| SCHEMBL2835536 | 0.75 | MEN1 (0.69) | KMT2AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28870076 | 0.75 | MAPT (0.70) | KMT2AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12682641 | 0.75 | KMT2A (1.00) | KMT2AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11204139 | 0.74 | CA1 (0.51) | SMN1; SMN2LMNACA1CA2ALDH1A1 | |
| SCHEMBL11503827 | 0.73 | MEN1 (0.61) | KMT2AMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5538986 | 0.71 | KMT2A (0.64) | KMT2AMEN1CYP1A2CYP2C9CYP2C19 |
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-4328244-A | ANTIVIRAL AGENT | THE DOW CHEMICAL COMPANY (US) | 1982-05-04 | — | — | US | disclosed |