Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 4/20 | 0.42 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL15941315 | 0.78 | SLC6A2 (0.57) | CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL8366344 | 0.78 | CHRNA7 (0.52) | CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2376699 | 0.74 | CYP1A2 (0.51) | CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19 | |
| Bicarbonate SCHEMBL1730381 | 0.74 | ALDH1A1 (0.50) | CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2996471 | 0.74 | CYP19A1 (0.44) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL74145 | 0.74 | CYP1A2 (0.55) | CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL31358573 | 0.74 | CYP1A2 (0.55) | CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL27962089 | 0.72 | CHRNB2 (0.57) | CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL30082314 | 0.71 | CYP3A4 (0.55) | CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL27962088 | 0.71 | CYP3A4 (0.55) | CYP3A4CYP1A2CYP2C9CYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1997806-A1 | Pahrmaceutical compositions for prevention and treatment of central nervous system disorders | Targacept, Inc. (US) | 2008-12-03 | — | — | EP | disclosed |
| EP-0900200-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040011-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R. J. REYNOLDS TOBACCO COMPANY (US) | 1997-10-30 | — | — | WO | disclosed |