Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.79 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.58 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.58 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.58 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | BCR | P11274 | 1/20 | 0.53 |
| ▸ | PRKCA | P17252 | 1/20 | 0.53 |
| ▸ | DDT | P30046 | 1/20 | 0.52 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.50 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.50 |
| ▸ | CD74 | P04233 | 1/20 | 0.49 |
| ▸ | MIF | P14174 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29569537 | 0.88 | KMO (1.00) | KMOMKNK1MKNK2ALDH1A1APP | |
| SCHEMBL28297133 | 0.88 | KMO (1.00) | KMOMKNK1MKNK2ALDH1A1APP | |
| SCHEMBL206541 | 0.88 | KMO (1.00) | KMOMKNK1MKNK2ALDH1A1APP | |
| SCHEMBL30259065 | 0.86 | KMO (0.73) | KMODDTPTGER1CYP2C9 | |
| SCHEMBL2213546 | 0.86 | KMO (0.73) | KMODDTPTGER1CYP2C9 | |
| SCHEMBL382724 | 0.84 | KMO (0.70) | KMODDTPTGER1CYP2C9FNTA | |
| SCHEMBL1707626 | 0.84 | KMO (0.70) | KMODDTPTGER1CYP2C9 | |
| SCHEMBL28349168 | 0.83 | MKNK1 (0.77) | KMOMKNK1MKNK2ALDH1A1APP | |
| SCHEMBL11498188 | 0.83 | KMO (0.68) | KMODDTPTGER1CYP2C9FNTA | |
| Methane SCHEMBL29109682 | 0.83 | KMO (0.68) | KMODDTPTGER1CYP2C9FNTA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101903359-B | Triazole-substituted arylamide derivatives and their use as P2X3 and/or P2X2/3 purinergic receptor antagonists | HOFFMANN LA ROCHE | 2013-05-22 | — | — | CN | disclosed |
| CN-101903359-A | Triazole-substituted arylamide derivatives and their use as P2X3And/or P2X2/3Use of purinergic receptor antagonists | HOFFMANN LA ROCHE | 2010-12-01 | — | — | CN | disclosed |