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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | S100A4 | P26447 | 2/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3071233 | 0.84 | TDP1 (0.61) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL1970696 | 0.78 | TDP1 (0.54) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| Nitrophenolate SCHEMBL29757972 | 0.78 | HSD17B10 (0.54) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| Nitrophenolate SCHEMBL235204 | 0.78 | HSD17B10 (0.54) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| Nitrophenolate SCHEMBL27998915 | 0.78 | HSD17B10 (0.54) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL29407555 | 0.77 | TSHR (0.59) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| Nitrophenolate SCHEMBL28179749 | 0.76 | HSD17B10 (0.52) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11300494 | 0.75 | TDP1 (0.72) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL2000175 | 0.75 | TDP1 (0.50) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL7579996 | 0.75 | GPR35 (0.62) | TDP1GPR35ALDH1A1TSHRSMN1; SMN2 |
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-3940392-A | Certain pyrazinyloxyphenyl urea compound | THE DOW CHEMICAL COMPANY (US) | 1976-02-24 | — | — | US | disclosed |