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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | NT5E | P21589 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CTSV | O60911 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2983082 | 0.98 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL2967553 | 0.97 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| Potassium Ion SCHEMBL2983136 | 0.97 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL2979886 | 0.97 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL7026429 | 0.97 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| Potassium SCHEMBL7999066 | 0.95 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL7999063 | 0.95 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL28757542 | 0.87 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL2967742 | 0.86 | KMT2A (0.58) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL3205274 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4ALOX15MAPT |
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-6518455-B1 | from the corresponding symmetric stilbene compounds of the formula aqueous ozonolysis and subsequent isolation of an aldehyde or oxidation to give the corresponding carboxylic acid. | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2003-02-11 | — | — | US | disclosed |