Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 10/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.52 |
| ▸ | PAK4 | O96013 | 2/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | TACR2 | P21452 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL21402152 | 0.80 | LCK (0.54) | TACR3ROCK2ROCK1PAK4CDK2 | |
| SCHEMBL14568148 | 0.80 | LCK (0.54) | TACR3ROCK2ROCK1PAK4CDK2 | |
| SCHEMBL5502111 | 0.80 | LCK (0.54) | TACR3ROCK2ROCK1PAK4CDK2 | |
| SCHEMBL14715517 | 0.72 | POLB (0.58) | ADORA2AMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14715491 | 0.72 | MAPT (0.47) | ADORA2AMEN1ALDH1A1TP53BLM | |
| SCHEMBL14715496 | 0.71 | PLAU (0.53) | MAPK1MEN1ALDH1A1TP53TSHR | |
| SCHEMBL14715638 | 0.70 | ADORA2A (0.46) | CDK2ADORA2AMEN1ALDH1A1TP53 | |
| SCHEMBL14715519 | 0.70 | ADORA2A (0.50) | ADORA2AMEN1ALDH1A1TP53KMT2A | |
| SCHEMBL14715473 | 0.70 | ADORA2A (0.45) | ADORA2AMAPK1MEN1ALDH1A1TSHR | |
| SCHEMBL14715462 | 0.70 | ALDH1A1 (0.58) | ADORA2AMAPK1MEN1ALDH1A1TP53 |
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-1836174-B2 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC (US) | 2019-10-02 | — | — | EP | disclosed |
| EP-1836174-B1 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC (US) | 2013-02-27 | — | — | EP | disclosed |