Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL7682114 | 0.95 | CYP2C19 (0.60) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL7681152 | 0.93 | CYP2D6 (0.55) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL7679598 | 0.85 | CYP3A4 (0.58) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL7679073 | 0.83 | CYP3A4 (0.45) | CYP2C19CYP3A4CYP2D6PIK3CAMAPK14 | |
| SCHEMBL3175221 | 0.78 | CYP2C19 (0.80) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL10154083 | 0.78 | PIK3CA (0.50) | CYP2C19CYP3A4ALDH1A1PIK3CAPIK3CB | |
| SCHEMBL10210050 | 0.78 | PIK3CA (0.50) | PIK3CAPIK3CB | |
| SCHEMBL3179723 | 0.76 | CYP2C19 (0.76) | CYP2C19CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL24455071 | 0.75 | RAB9A (0.53) | CYP2C19ALDH1A1PIK3CASMN1; SMN2NPSR1 | |
| SCHEMBL29561895 | 0.75 | RAB9A (0.53) | CYP2C19ALDH1A1PIK3CASMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6455520-B1 | TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS | ASTRA ZENECA AB (SE) | 2002-09-24 | — | — | US | disclosed |