Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 2/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.51 |
| ▸ | PTAFR | P25105 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7326755 | 0.93 | CYP2A6 (0.50) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL294519 | 0.86 | CYP2A6 (0.66) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL8904555 | 0.85 | CHRM2 (0.48) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL5541004 | 0.84 | TDP1 (0.67) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL10670119 | 0.83 | CYP2A6 (0.54) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL4774923 | 0.83 | CYP2A6 (0.69) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL2088563 | 0.83 | CYP2A6 (0.54) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL20412275 | 0.83 | CYP2A6 (0.74) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL5543828 | 0.82 | HRH1 (0.68) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL5545812 | 0.82 | HRH1 (0.68) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 |
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-5659065-A | CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS | NOVARTIS CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0678500-A1 | Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors | CIBA-GEIGY AG (CH) | 1995-10-25 | — | — | EP | disclosed |