Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 2/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4955771 | 0.94 | TDP1 (0.64) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 | |
| SCHEMBL4957872 | 0.92 | TDP1 (0.57) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 | |
| SCHEMBL4958679 | 0.85 | TDP1 (0.56) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 | |
| SCHEMBL12197971 | 0.81 | TDP1 (0.62) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 | |
| SCHEMBL5879455 | 0.81 | L3MBTL1 (0.62) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 | |
| SCHEMBL4956444 | 0.81 | TDP1 (0.58) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 | |
| SCHEMBL4956374 | 0.80 | TDP1 (0.50) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 | |
| SCHEMBL3256649 | 0.79 | L3MBTL1 (0.66) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 | |
| Bromide SCHEMBL18838899 | 0.79 | TDP1 (0.61) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 | |
| SCHEMBL4957622 | 0.79 | TDP1 (0.53) | TDP1L3MBTL1CYP2A6HRH1CHRNA7 |
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-7109215-B2 | Compounds possessing neuronal activity | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-09-19 | — | — | US | disclosed |
| US-6268384-B1 | DO NOT BIND TO FKBP, AND WHICH DO NOT HAVE MULTI-DRUG RESISTANCE REVERSAL ACTIVITY. | VERTEX PHARMACEUTICALS INCORPORATED | 2001-07-31 | — | — | US | disclosed |