Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.60 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.51 |
| ▸ | PRKACA | P17612 | 2/20 | 0.51 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.51 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.51 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.51 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13106106 | 0.91 | P2RX7 (0.49) | TRPM5ROCK2CHEK2PRKACARPS6KA3 | |
| SCHEMBL13106079 | 0.86 | TRPM5 (0.62) | TRPM5P2RX7MAOAMAOBACHE | |
| SCHEMBL13122268 | 0.85 | ROCK2 (0.49) | TRPM5ROCK2CHEK2PRKACARPS6KA3 | |
| SCHEMBL13106085 | 0.83 | TRPM5 (0.64) | TRPM5MAOAMAOBACHENPC1 | |
| SCHEMBL13106545 | 0.83 | TRPM5 (0.53) | TRPM5ROCK2CHEK2PRKACARPS6KA3 | |
| SCHEMBL13106551 | 0.80 | TRPM5 (0.64) | TRPM5MAOAMAOBACHENPC1 | |
| SCHEMBL13106507 | 0.80 | TRPM5 (0.60) | TRPM5P2RX7MAOAMAOBNPC1 | |
| SCHEMBL13106922 | 0.78 | NPC1 (0.43) | ROCK2CHEK2PRKACARPS6KA3PAK1 | |
| SCHEMBL13106094 | 0.77 | TRPM5 (0.54) | TRPM5MAOAMAOBTGFBR1CDC7 | |
| SCHEMBL13106151 | 0.77 | KMO (0.51) | TRPM5MAOAMAOBACHENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7812045-B2 | Antifungal triazole derivatives | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2010-10-12 | — | — | US | disclosed |