Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11020400 | 0.92 | CHEK2 (0.51) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL10759746 | 0.88 | NPC1 (0.44) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11020731 | 0.88 | NPC1 (0.44) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11022048 | 0.87 | CHEK2 (0.55) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL10760161 | 0.87 | RHEB (0.47) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11017271 | 0.85 | NPC1 (0.47) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11018145 | 0.83 | NPC1 (0.45) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11019270 | 0.82 | KDM4E (0.45) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11020734 | 0.80 | CHEK2 (0.54) | NPC1RAB9AHSP90AA1CHEK2HDAC6 | |
| SCHEMBL11022051 | 0.79 | CHEK2 (0.66) | CHEK2 |
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-0148431-A1 | Benzimidazoles, their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1985-07-17 | — | — | EP | disclosed |