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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL10366841 | 0.87 | NPSR1 (0.63) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL9380566 | 0.84 | HTT (0.65) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL9380212 | 0.83 | HTT (0.63) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL9384288 | 0.83 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL10368181 | 0.82 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL2514158 | 0.79 | CTSD (0.56) | ALDH1A1SMN1; SMN2HTTGAAKDM4E | |
| SCHEMBL9380381 | 0.78 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL4318924 | 0.77 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL9380930 | 0.77 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| Potassium Ion SCHEMBL29026645 | 0.76 | CTSD (0.56) | ALDH1A1SMN1; SMN2HTTGAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0336494-B1 | Triazine herbicides | SHELL INT RESEARCH (NL) | 1994-06-29 | — | — | EP | disclosed |
| US-5062882-A | TRIAZINE HERBICIDES | SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B. V. (NL) | 1991-11-05 | — | — | US | disclosed |
| EP-0336494-A2 | Triazine herbicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-10-11 | — | — | EP | disclosed |