Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | NMT1 | P30419 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | TDP2 | O95551 | 4/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17279740 | 0.75 | NR1H3 (0.82) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL6581144 | 0.75 | NR1H2 (0.53) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL6581290 | 0.73 | NR1H2 (0.50) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| Hydrochloric Acid SCHEMBL6580743 | 0.72 | NR1H2 (0.49) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL822566 | 0.69 | NR1H3 (1.00) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL25599752 | 0.69 | NR1H2 (0.71) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL22307346 | 0.69 | NR1H3 (0.82) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL3910446 | 0.67 | ACHE (0.50) | CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL11557551 | 0.67 | NPC1 (0.57) | NR1H2NR1H3NPC1RAB9AHSD17B2 | |
| SCHEMBL6915245 | 0.67 | KDM4E (0.48) | TMEM97SIGMAR1SMN1; SMN2CYP1A2CYP3A4 |
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-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | claimed |