Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 7/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 7/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9628930 | 0.90 | MAPT (0.50) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL88930 | 0.81 | AHR (0.42) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL8853443 | 0.79 | MEN1 (0.40) | NPC1MAPTALDH1A1 | |
| SCHEMBL3493955 | 0.69 | MAOA (0.41) | NPC1MAPTPLCG1GSK3BALDH1A1 | |
| SCHEMBL88860 | 0.69 | MEN1 (0.34) | NPC1MAPTALDH1A1 | |
| SCHEMBL10352552 | 0.68 | CREBBP (0.50) | BRD4CREBBPEP300ALDH1A1TSHR | |
| SCHEMBL15349083 | 0.68 | — | — | |
| SCHEMBL11701479 | 0.67 | CA12 (0.39) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7347184 | 0.67 | MEN1 (0.32) | ALDH1A1 | |
| SCHEMBL89000 | 0.67 | MEN1 (0.42) | NPC1MAPTCCNB2CDK1CCNB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | claimed |
| WO-2022171745-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2022-08-18 | — | — | WO | claimed |
| WO-2014125444-A1 | HETEROCYCLIC AMIDES AS KINASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2014-08-21 | — | — | WO | disclosed |
| EP-0292824-B1 | PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS | BAYER AG (DE) | 1990-08-01 | — | — | EP | disclosed |
| EP-0292824-A1 | Process for the nuclear chlorination of aromatic hydrocarbons | BAYER AG (DE) | 1988-11-30 | — | — | EP | disclosed |