Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | FPR1 | P21462 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 9/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 9/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7481212 | 0.82 | ALDH1A1 (0.42) | ALDH1A1LMNAUSP2HSD17B10GAA | |
| SCHEMBL861439 | 0.71 | LMNA (0.33) | ALDH1A1LMNAUSP2HSD17B10KDM4E | |
| SCHEMBL13198597 | 0.68 | CYP3A4 (0.61) | CYP3A4ALDH1A1LMNAUSP2HSD17B10 | |
| SCHEMBL6743293 | 0.68 | ALDH1A1 (0.38) | ALDH1A1LMNAUSP2HSD17B10GAA | |
| SCHEMBL25388740 | 0.67 | CYP3A4 (0.59) | CYP3A4ALDH1A1LMNAUSP2HSD17B10 | |
| SCHEMBL13198601 | 0.67 | CYP3A4 (0.59) | CYP3A4ALDH1A1LMNAUSP2HSD17B10 | |
| SCHEMBL20737983 | 0.67 | CYP3A4 (0.59) | CYP3A4ALDH1A1LMNAUSP2HSD17B10 | |
| SCHEMBL11357417 | 0.67 | CYP3A4 (0.59) | CYP3A4ALDH1A1LMNAUSP2HSD17B10 | |
| SCHEMBL17145006 | 0.67 | CYP3A4 (0.59) | CYP3A4ALDH1A1LMNAUSP2HSD17B10 | |
| SCHEMBL13198600 | 0.67 | CYP3A4 (0.59) | CYP3A4ALDH1A1LMNAUSP2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0280867-A1 | Process for the preparation of 5-aryl-2,4-dialkyl-3H-1,2,4-triazole-3-thiones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-09-07 | — | — | EP | disclosed |