Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 3/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | TGM1 | P22735 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | TGM3 | Q08188 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | AVPR1B | P47901 | 8/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6581299 | 0.90 | NR1H2 (0.45) | NR1H3NR1H2TSHRTGM2TGM1 | |
| SCHEMBL6580805 | 0.89 | TGM2 (0.51) | NR1H3NR1H2TSHRTGM2TGM1 | |
| SCHEMBL7812160 | 0.86 | TSHR (0.62) | TSHRNPC1AVPR1BHSD17B10TP53 | |
| SCHEMBL6581102 | 0.85 | NR1H3 (0.57) | NR1H3NR1H2CASP3RAB9ANPC1 | |
| SCHEMBL6584155 | 0.85 | NR1H3 (0.51) | NR1H3NR1H2TSHRTGM2TGM1 | |
| SCHEMBL6581277 | 0.84 | NR1H2 (0.43) | NR1H3NR1H2TSHRTGM2TGM1 | |
| SCHEMBL6582921 | 0.84 | NR1H3 (0.43) | NR1H3NR1H2TSHRTGM2TGM1 | |
| SCHEMBL6581365 | 0.84 | NR1H3 (0.43) | NR1H3NR1H2TSHRTGM2TGM1 | |
| SCHEMBL6580979 | 0.84 | NR1H2 (0.43) | NR1H3NR1H2TSHRTGM2TGM1 | |
| SCHEMBL6581328 | 0.84 | NR1H3 (0.45) | NR1H3NR1H2TSHRTGM2TGM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |