Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.64 |
| ▸ | HRH1 | P35367 | 3/20 | 0.60 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6159264 | 0.96 | HRH1 (0.63) | CYP2A6HRH1CHRNA7TDP1L3MBTL1 | |
| SCHEMBL6158950 | 0.94 | CYP2A6 (0.59) | CYP2A6HRH1CHRNA7TDP1L3MBTL1 | |
| SCHEMBL6161202 | 0.90 | HRH1 (0.59) | CYP2A6HRH1CHRNA7TDP1L3MBTL1 | |
| SCHEMBL6157740 | 0.90 | CYP2A6 (0.57) | CYP2A6HRH1CHRNA7TDP1L3MBTL1 | |
| SCHEMBL6159315 | 0.86 | HRH1 (0.56) | CYP2A6HRH1CHRNA7TDP1L3MBTL1 | |
| SCHEMBL11187960 | 0.85 | MAOA (0.59) | CYP2A6HRH1HTR2A | |
| SCHEMBL8091508 | 0.84 | CYP2A6 (0.49) | CYP2A6HRH1CHRNA7TDP1L3MBTL1 | |
| SCHEMBL8095259 | 0.81 | CYP2A6 (0.43) | CYP2A6HRH1TDP1L3MBTL1TBXAS1 | |
| SCHEMBL1188053 | 0.79 | CYP2A6 (1.00) | CYP2A6HRH1CHRNA7TDP1L3MBTL1 | |
| SCHEMBL30393717 | 0.79 | CYP2A6 (1.00) | CYP2A6HRH1CHRNA7TDP1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129070-A4 | NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2005-03-02 | — | — | EP | disclosed |
| EP-1129070-A1 | NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-09-05 | — | — | EP | disclosed |
| US-6228872-B1 | PEPTIDE-PROLYL ISOMERASE AND ROTAMASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2001-05-08 | — | — | US | disclosed |
| WO-2000027811-A1 | NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-05-18 | — | — | WO | disclosed |