Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.47 |
| ▸ | AVPR1B | P47901 | 9/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581105 | 0.96 | TSHR (0.52) | TSHRAVPR1B | |
| SCHEMBL6578516 | 0.93 | TSHR (0.62) | TSHRNR1H2NR1H3AVPR1BALDH1A1 | |
| SCHEMBL7812160 | 0.89 | TSHR (0.62) | TSHRAVPR1BALDH1A1KMT2A | |
| SCHEMBL6578213 | 0.88 | NR1H2 (0.47) | TSHRNR1H2NR1H3AVPR1BALDH1A1 | |
| SCHEMBL6578252 | 0.87 | TSHR (0.47) | TSHRNR1H2NR1H3AVPR1BALDH1A1 | |
| SCHEMBL6584155 | 0.86 | NR1H3 (0.51) | TSHRNR1H2NR1H3AVPR1BALDH1A1 | |
| SCHEMBL6581065 | 0.85 | NR1H3 (0.48) | TSHRNR1H2NR1H3AVPR1BALDH1A1 | |
| SCHEMBL15007200 | 0.85 | TSHR (0.67) | TSHRNR1H2NR1H3AVPR1BALDH1A1 | |
| SCHEMBL15114948 | 0.84 | TSHR (0.59) | TSHRAVPR1BALDH1A1LMNARAB9A | |
| SCHEMBL6578548 | 0.84 | NR1H3 (0.64) | NR1H2NR1H3AVPR1BALDH1A1LMNA |
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 |