Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3168174 | 0.82 | MAPK1 (0.42) | CSNK2A1 | |
| SCHEMBL3176926 | 0.79 | MEN1 (0.37) | CCR5CSNK2A1 | |
| SCHEMBL27582396 | 0.77 | CYP2A6 (0.42) | CYP2A6CCR5 | |
| SCHEMBL21317859 | 0.76 | AOC1 (0.43) | CYP2A6CCR5 | |
| Hydrochloric Acid SCHEMBL28125935 | 0.74 | AOC1 (0.44) | CYP2A6CCR5 | |
| SCHEMBL21317741 | 0.73 | AOC1 (0.45) | CYP2A6CCR5 | |
| SCHEMBL3183675 | 0.72 | SIGMAR1 (0.44) | — | |
| SCHEMBL3185380 | 0.72 | NPC1 (0.42) | — | |
| SCHEMBL3181155 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL27714366 | 0.70 | CSNK2A1 (0.47) | CYP2A6CCR5CSNK2A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101287461-A | Use of 5-amido-1h-pyrrole-2-nitrile derivative as progesterone receptor modulators | WYETH CORP (US) | 2008-10-15 | — | — | CN | disclosed |
| CN-101233103-A | Cyanopyrrole-phenyl amide progesterone receptor modulators and uses thereof | WYETH CORP (US) | 2008-07-30 | — | — | CN | disclosed |