Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4865443 | 1.00 | MAPT (0.45) | MAPTCYP2A6CYP2B6CYP2E1JAK2 | |
| SCHEMBL29786258 | 0.78 | CYP19A1 (0.40) | CHRNB2CHRNA4 | |
| SCHEMBL23124011 | 0.78 | CYP19A1 (0.40) | CHRNB2CHRNA4 | |
| SCHEMBL4868679 | 0.77 | PIK3CD (0.46) | CYP2A6CYP3A4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4862787 | 0.77 | HPGDS (0.44) | MAPTMAPK14SYKCHRNB2CHRNB4 | |
| SCHEMBL20054187 | 0.77 | AKT1 (0.30) | — | |
| SCHEMBL30641497 | 0.77 | TRPV4 (0.44) | KDM5BPDE3BPDE3A | |
| Hydrochloric Acid SCHEMBL15367017 | 0.76 | HPGDS (0.43) | MAPTMAPK14SYKCHRNB2CHRNB4 | |
| SCHEMBL26104326 | 0.73 | CYP2A6 (0.64) | MAPTCYP2A6CYP2B6CYP2E1JAK2 | |
| SCHEMBL23123510 | 0.73 | KDM5B (0.40) | KDRKDM5BSYK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4031531-A1 | SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Bial-R&D Investments, S.A. (PT) | 2022-07-27 | — | — | EP | disclosed |
| CN-114787135-A | Substituted imidazole carboxamides and their use in the treatment of medical disorders | 比亚尔R&D投资股份公司 | 2022-07-22 | — | — | CN | disclosed |