Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPIA | P62937 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8780708 | 0.86 | NPC1 (0.39) | CHRM3ALDH1A1NPC1 | |
| SCHEMBL7803049 | 0.83 | CES2 (0.41) | CES1CES2ALDH1A1MAOB | |
| SCHEMBL7797786 | 0.82 | GRM5 (0.43) | GRM5CTSBCES1CES2CHRM3 | |
| SCHEMBL6945739 | 0.80 | CES2 (0.42) | CES1CES2ALDH1A1MAOB | |
| SCHEMBL7803902 | 0.79 | GRM5 (0.42) | GRM5CTSBKCNA5CES1CES2 | |
| SCHEMBL7803908 | 0.74 | GRM5 (0.45) | GRM5CTSBCES1CES2ALDH1A1 | |
| SCHEMBL6945684 | 0.74 | CES2 (0.50) | CES1CES2ALDH1A1 | |
| SCHEMBL522838 | 0.70 | ALDH1A1 (0.57) | KCNA5CES1CES2ALDH1A1 | |
| SCHEMBL7797796 | 0.70 | BACE1 (0.41) | GRM5CHRM3AR | |
| SCHEMBL1515773 | 0.68 | CES2 (0.53) | CES1CES2ALDH1A1NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0814079-B1 | Triazole derivative or salt thereof | SS PHARMACEUTICAL CO (JP) | 2001-03-28 | — | — | EP | disclosed |
| US-6063945-A | FUNGICIDES | SS PHARMACEUTICAL CO., LTD. (JP) | 2000-05-16 | — | — | US | disclosed |
| US-5939448-A | ANTIMYCOTIC AGENT | SS PHARMACEUTICAL CO., LTD. (JP) | 1999-08-17 | — | — | US | disclosed |
| EP-0814079-A1 | Triazole derivative or salt thereof | SS PHARMACEUTICAL CO., LTD. (JP) | 1997-12-29 | — | — | EP | disclosed |