Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6945739 | 0.87 | CES2 (0.42) | CES2CES1ALDH1A1RAB9AMAOB | |
| SCHEMBL7803049 | 0.85 | CES2 (0.41) | CES2CES1ALDH1A1RAB9AMAOB | |
| SCHEMBL6945684 | 0.81 | CES2 (0.50) | CES2CES1ALDH1A1RAB9AL3MBTL1 | |
| SCHEMBL7804478 | 0.80 | CES2 (0.44) | CES2CES1ALDH1A1RAB9AMAOB | |
| SCHEMBL7797782 | 0.78 | GRM5 (0.41) | CES2CES1ALDH1A1MAOBNPC1 | |
| SCHEMBL7802614 | 0.76 | CES2 (0.42) | CES2CES1ALDH1A1RAB9AMAOB | |
| SCHEMBL7606342 | 0.74 | CES2 (0.53) | CES2CES1ALDH1A1RAB9AL3MBTL1 | |
| SCHEMBL7804436 | 0.72 | MAPK14 (0.35) | ALDH1A1MAOBTDP1MAPTTSHR | |
| SCHEMBL7802620 | 0.71 | ACKR3 (0.47) | CES2CES1ALDH1A1RAB9AMAOB | |
| SCHEMBL29776049 | 0.70 | CES2 (0.52) | CES2CES1ALDH1A1RAB9AMAOB |
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 |