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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.38 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8679482 | 0.83 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDCA2CA1 | |
| SCHEMBL3266996 | 0.79 | PRNP (0.50) | ALDH1A1KDM4EHPGDCA2CA1 | |
| Zinc Ion SCHEMBL31152542 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDCA2CA4 | |
| SCHEMBL8613576 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDCA2CA4 | |
| SCHEMBL8678737 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDCA2CA4 | |
| SCHEMBL30459298 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDCA2CA4 | |
| Potassium Ion SCHEMBL2112433 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDCA2CA4 | |
| SCHEMBL7983272 | 0.78 | PRNP (0.49) | ALDH1A1KDM4EHPGDCA2CA1 | |
| SCHEMBL21296300 | 0.78 | METAP2 (0.50) | ALDH1A1KDM4EHPGDPRNP | |
| SCHEMBL1950873 | 0.78 | ALDH1A1 (0.42) | ALDH1A1HPGDPRNPKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6290926-B1 | CATALYSIS OF CARBON MONOXIDE CONVERSION VIA THE WATER-GAS SHIFT REACTION | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2001-09-18 | — | — | US | disclosed |
| EP-0946573-A1 | CATALYSTS MADE FROM TRANSITION METAL COMPOUNDS AND 4,5-DIPHOSPHINOACRIDINE-LIGANDS | Studiengesellschaft Kohle mbH (DE) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998027101-A1 | NOVEL CATALYSTS MADE FROM TRANSITION METAL COMPOUNDS AND 4,5-DIPHOSPHINOACRIDINE-LIGANDS | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 1998-06-25 | — | — | WO | disclosed |