Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9514916 | 0.80 | IP6K1 (0.52) | HRH4HRH3EPHX1PARP1 | |
| SCHEMBL27797161 | 0.68 | TNKS2 (0.48) | CYP1A2CYP2D6CYP2C19HRH4HRH3 | |
| SCHEMBL10747074 | 0.67 | HRH4 (0.84) | CYP1A2CYP2D6CYP2C19HRH4HRH3 | |
| SCHEMBL9259496 | 0.67 | HRH4 (0.84) | CYP1A2CYP2D6CYP2C19HRH4HRH3 | |
| SCHEMBL10748421 | 0.67 | HRH4 (0.84) | CYP1A2CYP2D6CYP2C19HRH4HRH3 | |
| SCHEMBL9637156 | 0.67 | HRH4 (0.84) | CYP1A2CYP2D6CYP2C19HRH4HRH3 | |
| SCHEMBL1507612 | 0.67 | PARP1 (0.54) | LMNASMN1; SMN2KDM4EPARP1 | |
| SCHEMBL1507706 | 0.66 | TYMS (0.41) | CYP1A2SMN1; SMN2KDM4EPARP1 | |
| SCHEMBL1584889 | 0.65 | PIM1 (0.56) | CYP1A2LMNASMN1; SMN2 | |
| SCHEMBL9257479 | 0.65 | CYP1A2 (0.76) | CYP1A2CYP2D6CYP2C19HRH4HRH3 |
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-0284338-B1 | Anti-tumour agents | ICI PLC (GB) | 1993-12-22 | — | — | EP | disclosed |