Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nitecapone. 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 | |
|---|---|---|---|---|
| ▸ | XDH known ✓ | P47989 | 1/20 | 0.44 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | FTO | Q9C0B1 | 3/20 | 0.42 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | DBH | P09172 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Nitecapone SCHEMBL7039409 | 0.83 | GPR35 (1.00) | GPR35MEN1KMT2AALDH1A1MAPT | |
| Nitecapone SCHEMBL30489171 | 0.83 | GPR35 (1.00) | GPR35MEN1KMT2AALDH1A1MAPT | |
| Nitecapone SCHEMBL128420 | 0.83 | GPR35 (1.00) | GPR35MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL8028708 | 0.77 | GPR35 (0.85) | GPR35MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL7279195 | 0.73 | GPR35 (0.78) | GPR35MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL7279188 | 0.73 | GPR35 (0.78) | GPR35MEN1KMT2AALDH1A1MAPT | |
| Tiron SCHEMBL29385574 | 0.72 | DUSP5 (0.65) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL5310574 | 0.72 | DUSP5 (0.65) | MEN1KMT2ACA12CA1CA2 | |
| Tiron SCHEMBL22220 | 0.72 | DUSP5 (0.65) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL8848344 | 0.72 | GPR35 (0.76) | GPR35MEN1KMT2AALDH1A1MAPT |
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-1435930-A2 | ANTI-GLYCATION AGENTS FOR PREVENTING AGE-, DIABETES-, AND SMOKING-RELATED COMPLICATIONS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003032969-A2 | ANTI-GLYCATION AGENTS FOR PREVENTING AGE-, DIABETES-, AND SMOKING-RELATED COMPLICATIONS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2003-04-24 | — | — | WO | disclosed |