Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | PPIA | P62937 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7803890 | 0.82 | CES2 (0.42) | ALDH1A1POLBCES1CES2RAB9A | |
| SCHEMBL7803908 | 0.81 | GRM5 (0.45) | GRM5ALDH1A1POLBCES1CES2 | |
| SCHEMBL6938663 | 0.79 | CES2 (0.45) | ALDH1A1CES1CES2GAA | |
| SCHEMBL7797782 | 0.79 | GRM5 (0.41) | GRM5ALDH1A1CES1CES2CTSB | |
| SCHEMBL7802614 | 0.77 | CES2 (0.42) | ALDH1A1POLBCES1CES2MAOB | |
| SCHEMBL7806398 | 0.76 | CES2 (0.50) | ALDH1A1CES1CES2HTR2AHTR2C | |
| SCHEMBL5640445 | 0.75 | MMP12 (0.54) | ALDH1A1CES1KMT2A | |
| SCHEMBL7797786 | 0.74 | GRM5 (0.43) | GRM5POLBCES1CES2CTSB | |
| SCHEMBL9640759 | 0.73 | MMP12 (0.51) | ALDH1A1CES1 | |
| SCHEMBL1515773 | 0.72 | CES2 (0.53) | ALDH1A1POLBCES1CES2HTR2A |
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 |