Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.44 |
| ▸ | PDE5A | O76074 | 2/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.42 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | RHEB | Q15382 | 1/20 | 0.38 |
| ▸ | HPSE | Q9Y251 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11020731 | 0.91 | NPC1 (0.44) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11022048 | 0.90 | CHEK2 (0.55) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL10760161 | 0.90 | RHEB (0.47) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11017271 | 0.88 | NPC1 (0.47) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11020382 | 0.88 | NPC1 (0.42) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11018145 | 0.86 | NPC1 (0.45) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL10761778 | 0.85 | CDK4 (0.46) | PDE5APDE3BPDE3AAMY1AHDAC6 | |
| SCHEMBL11019270 | 0.85 | KDM4E (0.45) | NPC1RAB9AHSP90AA1PKMCHEK2 | |
| SCHEMBL11020734 | 0.82 | CHEK2 (0.54) | NPC1RAB9AHSP90AA1CHEK2HDAC6 | |
| SCHEMBL11022051 | 0.81 | 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-0209707-A2 | 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1987-01-28 | — | — | EP | disclosed |