Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.60 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 3/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11592259 | 0.94 | NR1H2 (0.60) | NR1H2NR1H3NPC1RAB9AHSD17B10 | |
| SCHEMBL11589724 | 0.92 | NR1H2 (0.61) | NR1H2NR1H3NPC1RAB9AHSD17B10 | |
| SCHEMBL11588467 | 0.86 | NR1H2 (0.72) | NR1H2NR1H3NPC1RAB9AHSD17B10 | |
| SCHEMBL11590621 | 0.85 | NR1H3 (0.83) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL11590519 | 0.85 | NR1H3 (0.69) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL8405058 | 0.82 | ALDH1A1 (0.50) | NR1H2NR1H3NPC1RAB9AHSD17B10 | |
| SCHEMBL11311344 | 0.81 | NR1H3 (0.71) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL2365545 | 0.80 | NR1H2 (0.62) | NR1H2NR1H3NPC1RAB9AALDH1A1 | |
| SCHEMBL2313369 | 0.79 | NR1H2 (0.54) | NR1H2NR1H3NPC1RAB9AHSD17B10 | |
| SCHEMBL1460117 | 0.78 | PPARA (0.50) | NPC1RAB9AHSD17B10ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4111944-A | SUBSTITUTED 1,2,4-TRIAZOLES | MERCK & CO., INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-3963731-A | TREATMENT OF GOUT AND HYPERURICEMIA | MERCK & CO., INC. (US) | 1976-06-15 | — | — | US | disclosed |
| US-3947577-A | 1,2,4-TRIAZOLES | MERCK & CO., INC. (US) | 1976-03-30 | — | — | US | disclosed |