Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16464687 | 0.85 | NPC1 (0.51) | CHRNB2CHRNA4MEN1KMT2ACHRM5 | |
| SCHEMBL16464688 | 0.85 | NPC1 (0.51) | CHRNB2CHRNA4MEN1KMT2ACHRM5 | |
| SCHEMBL11835580 | 0.81 | RAB9A (0.55) | CHRNB2CHRNA4CYP2C19MEN1KMT2A | |
| SCHEMBL29897243 | 0.81 | RAB9A (0.55) | CHRNB2CHRNA4CYP2C19MEN1KMT2A | |
| SCHEMBL3852291 | 0.79 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNA7CYP2C19MEN1 | |
| SCHEMBL3852286 | 0.79 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNA7CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL5568885 | 0.79 | CHRM5 (0.40) | CHRNB2CHRNA4MEN1KMT2ACHRM5 | |
| Hydrochloric Acid SCHEMBL5567256 | 0.79 | NOTUM (0.45) | CHRNB2CHRNA4MEN1KMT2ACHRM5 | |
| SCHEMBL3852786 | 0.77 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA7CHRM5CHRM3 | |
| SCHEMBL3852788 | 0.77 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA7CHRM5CHRM3 |
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-1678169-B1 | 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2009-07-22 | — | — | EP | disclosed |