Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CCL2 | P13500 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20506900 | 0.66 | ATM (0.38) | ATMBRD4CCL2CYP1A2CYP3A4 | |
| SCHEMBL418352 | 0.64 | BRD4 (0.38) | ATMBRD4CCL2CYP3A4 | |
| SCHEMBL5635515 | 0.64 | BRD4 (0.39) | ATMBRD4CCL2CYP1A2CYP3A4 | |
| SCHEMBL10375397 | 0.61 | BRD4 (0.36) | ATMBRD4CCL2 | |
| SCHEMBL11348748 | 0.60 | BRD4 (0.41) | ATMBRD4CCL2CYP1A2CYP3A4 | |
| SCHEMBL20874546 | 0.59 | ATM (0.41) | ATMBRD4CCL2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11111763 | 0.57 | BRD4 (0.35) | ATMBRD4CCL2 | |
| SCHEMBL3550306 | 0.57 | HTR2A (0.45) | ATMBRD4CCL2CYP1A2CYP3A4 | |
| SCHEMBL27286085 | 0.57 | BRD4 (0.45) | ATMBRD4CCL2CYP1A2CYP3A4 | |
| SCHEMBL514156 | 0.57 | BRD4 (0.34) | BRD4CCL2CYP3A4 |
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-0183994-A1 | Tricyclic pyridone derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1986-06-11 | — | — | EP | disclosed |