Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CCND1 | P24385 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CCND3 | P30281 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.43 |
| ▸ | HPSE | Q9Y251 | 6/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11017274 | 0.92 | CHEK2 (0.56) | NPC1RAB9AHSP90AA1PKMCDK4 | |
| SCHEMBL10760161 | 0.89 | RHEB (0.47) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11019019 | 0.89 | HPSE (0.42) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11018145 | 0.89 | NPC1 (0.45) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL10759746 | 0.88 | NPC1 (0.44) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11020731 | 0.88 | NPC1 (0.44) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11022048 | 0.87 | CHEK2 (0.55) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11020382 | 0.85 | NPC1 (0.42) | NPC1RAB9AHSP90AA1PKMCDK2 | |
| SCHEMBL11019270 | 0.82 | KDM4E (0.45) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11019938 | 0.82 | CDK4 (0.45) | NPC1RAB9ACDK4CCNA2CCND1 |
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 |