Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2869448 | 0.85 | CYP2A6 (0.42) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL16044934 | 0.82 | CYP2A6 (0.39) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL28088563 | 0.79 | CYP2A6 (0.55) | CYP2A6CYP1A2CES1AKR1B1 | |
| SCHEMBL3478078 | 0.77 | ANPEP (0.49) | CYP2A6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL266203 | 0.75 | BCL2L1 (0.53) | CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL8061942 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP1A2 | |
| SCHEMBL7333315 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL14220348 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL1662187 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP1A2 | |
| SCHEMBL4601564 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP1A2AHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7067179-B1 | Fused ring compound | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-06-27 | — | — | US | disclosed |
| EP-1201632-B1 | FUSED RING COMPOUND | DAINIPPON INK & CHEMICALS (JP) | 2006-03-29 | — | — | EP | disclosed |
| EP-1201632-A1 | FUSED RING COMPOUND | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-05-02 | — | — | EP | disclosed |