Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4656299 | 0.83 | ATM (0.41) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL4657447 | 0.82 | ATM (0.40) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL29120106 | 0.80 | ATM (0.39) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL29727587 | 0.80 | ATM (0.42) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL4657520 | 0.79 | ATM (0.38) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL4656248 | 0.79 | ATM (0.38) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL4656249 | 0.79 | ATM (0.38) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL11830117 | 0.78 | CYP1A2 (0.52) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL4657466 | 0.76 | ATM (0.36) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL28446669 | 0.76 | CYP3A4 (0.40) | ATMCYP1A2CYP1A1CYP1B1CYP2C9 |
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-112679381-A | Method for synthesizing beta-ketonitrile and derivative thereof | 温州医科大学 | 2021-04-20 | — | — | CN | disclosed |
| CN-109694333-A | The non-solvent preparation of disubstituted malononitrile derivative | 西华大学 | 2019-04-30 | — | — | CN | disclosed |