Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | GSK3A | P49840 | 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 | |
|---|---|---|---|---|
| SCHEMBL5804051 | 0.90 | MAPK14 (0.47) | NPC1CYP2C19ALDH1A1HSD17B10CASP1 | |
| SCHEMBL5816404 | 0.90 | CYP2C19 (0.47) | GRIN1GRIN2BNPC1CYP2C19ALDH1A1 | |
| SCHEMBL5806158 | 0.83 | GRIN1 (0.49) | GRIN1GRIN2BNPC1CYP2C19ALDH1A1 | |
| SCHEMBL5805306 | 0.80 | DRD2 (0.44) | NPC1CYP2C19ALDH1A1SMN1; SMN2HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL7092946 | 0.75 | NPC1 (0.47) | NPC1CYP2C19ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL5816696 | 0.71 | MEN1 (0.46) | NPC1CYP2C19ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL13738431 | 0.71 | ALDH1A1 (0.60) | NPC1ALDH1A1TSHRHSD17B10USP2 | |
| SCHEMBL7145770 | 0.70 | CYP2C19 (0.46) | NPC1CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL5820957 | 0.68 | TP53 (0.46) | NPC1CYP2C19ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL5820384 | 0.67 | LMNA (0.47) | NPC1ALDH1A1SMN1; SMN2HSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006117657-A1 | TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | RANBAXY LABORATORIES LIMITED (US) | 2006-11-09 | — | — | WO | claimed |
| WO-2006117657-A1 | TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | RANBAXY LABORATORIES LIMITED (US) | 2006-11-09 | — | — | WO | disclosed |