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 | 2/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL6136043 | 0.96 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1145316 | 0.81 | SLC6A4 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29768449 | 0.81 | SLC6A4 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12325069 | 0.75 | HSP90AA1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11325492 | 0.74 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29587997 | 0.73 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL197088 | 0.73 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2205828 | 0.73 | MAPT (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29807652 | 0.72 | ENPP2 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1236491 | 0.72 | ALDH1A1 (0.66) | CYP1A2CYP2A6ALDH1A1KDM4EMEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750532-A | TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS | SCHERING CORPORATION (US) | 1998-05-12 | — | — | US | disclosed |
| US-5559133-A | BIS/ARYLOXYALKYL/AROMATIC COMPOUNDS | SCHERING CORPORATION (US) | 1996-09-24 | — | — | US | disclosed |
| US-5459144-A | Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor | SCHERING CORPORATION (US) | 1995-10-17 | — | — | US | disclosed |
| EP-0590026-A1 | ORALLY ACTIVE ANTIVIRAL COMPOUNDS | SCHERING CORPORATION (US) | 1994-04-06 | — | — | EP | disclosed |
| US-5272167-A | Pharmaceutically active compounds | SCHERING CORPORATION (US) | 1993-12-21 | — | — | US | disclosed |
| WO-1992022520-A1 | ORALLY ACTIVE ANTIVIRAL COMPOUNDS | SCHERING CORPORATION (US) | 1992-12-23 | — | — | WO | disclosed |
| EP-0519702-A1 | Orally active antiviral compounds | SCHERING CORPORATION (US) | 1992-12-23 | — | — | EP | disclosed |
| WO-1991000858-A1 | PHARMACEUTICALLY ACTIVE COMPOUNDS | SCHERING CORPORATION (US) | 1991-01-24 | — | — | WO | disclosed |
| EP-0407217-A1 | Pharmaceutically active compounds | SCHERING CORPORATION (US) | 1991-01-09 | — | — | EP | disclosed |