Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.30 |
| ▸ | PRKCQ | Q04759 | 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 | |
|---|---|---|---|---|
| SCHEMBL30630775 | 1.00 | CYP2A6 (0.32) | CYP2A6LTA4HBRD4CREBBPCHRNB4 | |
| SCHEMBL14136494 | 0.79 | CHRNB4 (0.33) | LTA4HBRD4CREBBPCHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL27094825 | 0.74 | MEN1 (0.31) | CYP2A6PRKCAPRKCQ | |
| SCHEMBL26625675 | 0.72 | BRD4 (0.33) | BRD4CREBBPCHRNB4CHRNA3CHRNB2 | |
| SCHEMBL27094529 | 0.72 | AKR1B1 (0.39) | LTA4HAKR1B1 | |
| SCHEMBL14661123 | 0.72 | LTA4H (0.40) | LTA4HCHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL1328841 | 0.72 | POLB (0.43) | BRD4CREBBPAKR1B1 | |
| SCHEMBL18383187 | 0.72 | POLB (0.43) | BRD4CREBBPAKR1B1 | |
| SCHEMBL18383190 | 0.72 | POLB (0.43) | BRD4CREBBPAKR1B1 | |
| SCHEMBL23219887 | 0.70 | LTA4H (0.31) | LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| EP-1838312-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006076131-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-07-20 | — | — | WO | disclosed |