Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27845494 | 0.77 | CYP2A6 (0.36) | CYP2A6ALDH1A1 | |
| SCHEMBL3687208 | 0.75 | CYP2A6 (0.39) | CYP2A6ALDH1A1 | |
| SCHEMBL19759438 | 0.71 | — | — | |
| SCHEMBL13472041 | 0.71 | CYP2A6 (0.33) | CYP2A6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL22774982 | 0.70 | GAA (0.49) | CYP2A6ALDH1A1GAAMAPK1POLB | |
| SCHEMBL12272587 | 0.67 | HSD17B10 (0.39) | ALDH1A1MAPK1POLB | |
| SCHEMBL20614425 | 0.67 | CYP2A6 (0.30) | CYP2A6ALDH1A1 | |
| SCHEMBL15989503 | 0.67 | CYP2A6 (0.33) | CYP2A6ALDH1A1 | |
| SCHEMBL4164736 | 0.67 | CYP2A6 (0.36) | CYP2A6ALDH1A1 | |
| SCHEMBL11764805 | 0.67 | CYP2A6 (0.39) | CYP2A6ALDH1A1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120004386-A1 | CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME | UNIVERSITE DE MONTREAL (CA) | 2012-01-05 | — | — | US | disclosed |