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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27822691 | 0.82 | TDP1 (0.52) | TDP1PDE10AALDH1A1HPGDKDM4E | |
| SCHEMBL2329568 | 0.82 | ALDH1A1 (0.59) | TDP1PDE10AALDH1A1HPGDKDM4E | |
| SCHEMBL8905796 | 0.81 | TDP1 (0.47) | TDP1PDE10AALDH1A1HPGDKDM4E | |
| SCHEMBL16992688 | 0.81 | IKBKB (0.53) | TDP1PDE10AALDH1A1HPGDKDM4E | |
| SCHEMBL5838768 | 0.77 | ALDH1A1 (0.50) | TDP1ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL243748 | 0.77 | ALDH1A1 (0.50) | TDP1ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL6196574 | 0.77 | ALDH1A1 (0.50) | TDP1ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL8780487 | 0.77 | ALDH1A1 (0.50) | TDP1ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL29472179 | 0.77 | IKBKB (0.49) | ALDH1A1HPGDKDM4EGAASTAT3 | |
| Zinc Ion SCHEMBL10395382 | 0.77 | ALDH1A1 (0.50) | TDP1ALDH1A1HPGDKDM4EGAA |
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-4476132-A | Acylquinolinone derivatives, and antiallergic preparations and methods of inhibiting allergic reactions using them | CIBA-GEIGY CORPORATION (US) | 1984-10-09 | — | — | US | disclosed |