Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.43 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13531681 | 1.00 | CYP1A2 (0.44) | CYP1A2CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL13531680 | 1.00 | CYP1A2 (0.44) | CYP1A2CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL25019687 | 0.95 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL13531684 | 0.95 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL13531685 | 0.95 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL14048821 | 0.83 | CYP1A2 (0.50) | CYP1A2CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL14401062 | 0.82 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL3424441 | 0.80 | S1PR1 (0.41) | — | |
| SCHEMBL3424443 | 0.80 | S1PR1 (0.41) | — | |
| SCHEMBL15780666 | 0.79 | CYP1A2 (0.44) | CYP1A2CHRNB2CHRNA4CHRNA7CHRNA5 |
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-1575966-B1 | THERAPEUTIC QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-10-29 | — | — | EP | disclosed |