Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4755511 | 0.80 | HRH1 (0.50) | CYP19A1ALDH1A1TSHRCASRSMN1; SMN2 | |
| SCHEMBL4944014 | 0.79 | ESR1 (0.48) | CYP19A1CNR1CNR2ALDH1A1TSHR | |
| SCHEMBL15787636 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP2A6TSHRCHRNA7ALOX5 | |
| SCHEMBL13930328 | 0.78 | ALDH1A1 (0.41) | CYP19A1CNR1CNR2ALDH1A1CYP2A6 | |
| P-Xylene SCHEMBL28290544 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP2A6TSHRGLASMN1; SMN2 | |
| SCHEMBL29723649 | 0.73 | CNR1 (0.56) | CYP19A1CNR1CNR2ALDH1A1TSHR | |
| SCHEMBL9330269 | 0.73 | CYP19A1 (0.46) | CYP19A1CNR1CNR2CHRNA7CASR | |
| SCHEMBL12381752 | 0.72 | CHRNA7 (0.32) | CHRNA7 | |
| SCHEMBL8764025 | 0.71 | ESR1 (0.50) | ALDH1A1CYP2A6CHRNA7ALOX5GLA | |
| SCHEMBL15656198 | 0.71 | CYP19A1 (0.44) | CYP19A1CNR1CNR2TSHRCHRNA7 |
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-104030870-A | Method for preparing beta-cyan ketone | UNIV NORTHWEST NORMAL | 2014-09-10 | — | — | CN | disclosed |