Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9570412 | 0.89 | CHRNA7 (0.51) | CHRNA7CHRNB2CHRNA4CYP2A6KCNA5 | |
| SCHEMBL6834283 | 0.83 | POLB (0.51) | CHRNA7CHRNB2CHRNA4KCNA5KCNN4 | |
| SCHEMBL6847317 | 0.83 | CHRNA7 (0.44) | CHRNA7CHRNB2CHRNA4CYP2A6KCNA5 | |
| Hydrochloric Acid SCHEMBL5379321 | 0.83 | KCNA5 (0.51) | CHRNA7CHRNB2CHRNA4KCNA5KCNN4 | |
| SCHEMBL10771297 | 0.81 | TRPV1 (0.48) | CHRNA7CHRNB2CHRNA4KCNA5KCNN4 | |
| Hydrochloric Acid SCHEMBL6264261 | 0.81 | POLB (0.50) | CHRNA7CHRNB2CHRNA4KCNA5KCNN4 | |
| SCHEMBL11698473 | 0.80 | CHRNA7 (0.42) | CHRNA7CHRNB2CHRNA4KCNA5KCNN4 | |
| SCHEMBL6047182 | 0.80 | KCNA5 (0.57) | CHRNA7CHRNB2CHRNA4KCNA5KCNN4 | |
| SCHEMBL3230643 | 0.80 | CHRNB2 (0.53) | CHRNA7CHRNB2CHRNA4CYP2A6KCNA5 | |
| SCHEMBL11767989 | 0.80 | CYP2D6 (0.46) | CHRNA7CHRNB2CHRNA4CYP2A6KCNA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2067773-B1 | Production of uretdione polyisocyanates | BAYER MATERIALSCIENCE AG (DE) | 2010-11-03 | — | — | EP | disclosed |