Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 6/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.32 |
| ▸ | IGF1R | P08069 | 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 | |
|---|---|---|---|---|
| SCHEMBL31026164 | 1.00 | CYP17A1 (0.36) | CYP17A1CHRNB2CHRNA4CHRNA3CHRNA7 | |
| Ammonia Solution, Strong SCHEMBL15173599 | 0.98 | CYP17A1 (0.35) | CYP17A1CHRNB2CHRNA4CHRNA3CHRNA7 | |
| SCHEMBL24759486 | 0.84 | CHRNB2 (0.39) | CYP17A1CHRNB2CHRNA4CHRNA3CHRNA7 | |
| SCHEMBL20772273 | 0.81 | CYP17A1 (0.40) | CYP17A1CHRNB2CHRNA4 | |
| SCHEMBL26621158 | 0.76 | SCN9A (0.37) | CYP17A1CHRNB2CHRNA4CHRNA3IGF1R | |
| SCHEMBL23918196 | 0.76 | CHRNB2 (0.37) | CYP17A1CHRNB2CHRNA4IGF1R | |
| SCHEMBL15614997 | 0.75 | CHRNB2 (0.41) | CYP17A1CHRNB2CHRNA4CHRNA3CHRNA7 | |
| SCHEMBL16905409 | 0.75 | CHRNB2 (0.41) | CYP17A1CHRNB2CHRNA4CHRNA3CHRNA7 | |
| SCHEMBL15776554 | 0.75 | CHRNB2 (0.41) | CYP17A1CHRNB2CHRNA4 | |
| SCHEMBL19561410 | 0.75 | CHRNB2 (0.41) | CYP17A1CHRNB2CHRNA4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114026082-B | Pyridin-3-yl derivatives | 爱杜西亚药品有限公司 | 2024-06-07 | — | — | CN | disclosed |