Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL13823512 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL17597899 | 0.62 | — | — | |
| SCHEMBL19390140 | 0.61 | CHRNB2 (0.33) | CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL10425936 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL12393666 | 0.58 | CHRNB2 (0.34) | CHRNB2CHRNA4CHRNA7ALDH1A1 | |
| SCHEMBL7269156 | 0.51 | SMN1; SMN2 (0.60) | ALDH1A1 | |
| SCHEMBL13045477 | 0.47 | CYP1A2 (0.53) | ALDH1A1 | |
| SCHEMBL669554 | 0.45 | CA5A (0.67) | — | |
| Acetone SCHEMBL7365015 | 0.43 | — | — | |
| SCHEMBL30119084 | 0.43 | — | — |
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-2684874-B1 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors | CEPHALON INC (US) | 2017-05-17 | — | — | EP | disclosed |