Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CCND2 | P30279 | 1/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 2/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9303636 | 0.93 | CDK4 (0.36) | ALDH1A1KDM4ECDK4CCND1CCND2 | |
| SCHEMBL9303155 | 0.87 | HRH3 (0.38) | ALDH1A1KDM4ECDK4CCND1CCND2 | |
| SCHEMBL9303642 | 0.85 | OPRM1 (0.36) | ALDH1A1KDM4ECDK4CCND1CCND2 | |
| SCHEMBL9302286 | 0.85 | OPRM1 (0.38) | ALDH1A1KDM4ECDK4CCND1CCND2 | |
| SCHEMBL9301295 | 0.83 | OPRM1 (0.36) | ALDH1A1KDM4ECDK4CCND1CCND2 | |
| SCHEMBL9301342 | 0.83 | STS (0.38) | HRH3OPRM1OPRD1OGFRL1TP53 | |
| SCHEMBL9304073 | 0.80 | MAPT (0.39) | ALDH1A1KDM4EHRH3OPRM1OPRD1 | |
| SCHEMBL9302223 | 0.76 | KDM4E (0.41) | ALDH1A1KDM4EPIK3CAMAPTLMNA | |
| SCHEMBL9847726 | 0.74 | KDM4E (0.40) | ALDH1A1KDM4EPIK3CAMAPTLMNA | |
| SCHEMBL9301409 | 0.73 | ALDH1A1 (0.41) | ALDH1A1KDM4ETP53MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |