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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.34 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2370533 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| Lithium Ion SCHEMBL2370296 | 0.97 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL2371309 | 0.97 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| Potassium Ion SCHEMBL2370572 | 0.97 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL2370540 | 0.88 | TSHR (0.36) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL2371326 | 0.81 | AKR1C3 (0.38) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL1553635 | 0.74 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL12298618 | 0.72 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL5340414 | 0.71 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL22368312 | 0.70 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2545039-A1 | A PROCESS FOR MAKING VORICONAZOLE | Synthon BV (NL) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011110198-A1 | A PROCESS FOR MAKING VORICONAZOLE | SYNTHRON B.V. (NL) | 2011-09-15 | — | — | WO | disclosed |