Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26350516 | 0.81 | CYP1A2 (0.44) | HRH3CDK1CDK4CCND1CDK2 | |
| Hydrochloric Acid SCHEMBL29862986 | 0.76 | CYP1A2 (0.47) | IRAK4CYP1A2CYP2C19TDP1BRD4 | |
| SCHEMBL550692 | 0.72 | TYRO3 (0.45) | CDK1CDK4CCND1CDK2CYP2C19 | |
| SCHEMBL13015041 | 0.72 | DDB1 (0.50) | CDK1CDK4CCND1CDK2CYP1A2 | |
| SCHEMBL26330921 | 0.72 | BRD4 (0.47) | CDK1CDK4CCND1CDK2IRAK4 | |
| SCHEMBL1197753 | 0.72 | ALDH1A1 (0.58) | CDK2DYRK1ANSD2ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL29862508 | 0.71 | HTR6 (0.48) | IRAK4CTSLCTSBCTSSCTSK | |
| Hydrochloric Acid SCHEMBL3776452 | 0.71 | DDB1 (0.49) | CDK1CDK4CCND1CDK2CYP1A2 | |
| SCHEMBL12537719 | 0.71 | HRH3 (0.51) | HRH3CDK1CDK4CCND1CDK2 | |
| Hydrochloric Acid SCHEMBL25221350 | 0.71 | BRD4 (0.47) | CDK1CDK4CCND1CDK2IRAK4 |
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-2397477-A1 | Heterocyclic-substituted piperidine compounds and the uses thereof | Purdue Pharma LP (US) | 2011-12-21 | — | — | EP | disclosed |