Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 2/20 | 0.31 |
| ▸ | ADH1C | P00326 | 2/20 | 0.31 |
| ▸ | ADH1A | P07327 | 2/20 | 0.31 |
| ▸ | ADH4 | P08319 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ADH7 | P40394 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11909720 | 1.00 | NPC1 (0.38) | NPC1CA1CA2ADH1BADH1C | |
| SCHEMBL72977 | 1.00 | NPC1 (0.38) | NPC1CA1CA2ADH1BADH1C | |
| SCHEMBL6987461 | 0.98 | NPC1 (0.34) | NPC1 | |
| SCHEMBL9036075 | 0.88 | — | — | |
| SCHEMBL4952178 | 0.82 | NPC1 (0.34) | NPC1HPGD | |
| SCHEMBL73235 | 0.80 | NPC1 (0.45) | NPC1CA1CA2ADH1BADH1C | |
| SCHEMBL8802672 | 0.80 | NPC1 (0.45) | NPC1CA1CA2ADH1BADH1C | |
| SCHEMBL25700953 | 0.78 | SLC6A2 (0.33) | — | |
| SCHEMBL112607 | 0.78 | — | — | |
| SCHEMBL9517342 | 0.77 | NPC1 (0.48) | NPC1CA1CA2HPGDEPHX1 |
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-0721454-A1 | NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST | J. URIACH & CIA. S.A. (ES) | 1996-07-17 | — | — | EP | disclosed |