Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL27810843 | 0.82 | ATM (0.46) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL28619495 | 0.80 | SLC6A4 (0.47) | CYP1A2SLC6A2TAAR1ALDH1A1CYP2C9 | |
| SCHEMBL28425100 | 0.78 | CYP1A2 (0.47) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL11566623 | 0.78 | IDO1 (0.38) | TAAR1ALDH1A1LMNAMAOBESR1 | |
| SCHEMBL11568801 | 0.78 | ESR1 (0.36) | CYP1A2CYP1A1CYP1B1ESR1ESR2 | |
| SCHEMBL10891578 | 0.78 | SLC6A2 (0.48) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL11386011 | 0.77 | SMN1; SMN2 (0.42) | CYP1A2CYP1A1CYP1B1SLC6A2TAAR1 | |
| SCHEMBL28290835 | 0.76 | ATM (0.48) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL11830117 | 0.74 | CYP1A2 (0.52) | ATMCYP1A2CYP1A1CYP1B1SLC6A2 | |
| SCHEMBL2375732 | 0.73 | SLC6A2 (0.46) | ATMCYP1A2SLC6A2TAAR1ALDH1A1 |
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-215028650-U | Reaction kettle for preparing dichlorobenzyl cyanide | 浙江东海新材料科技股份有限公司 | 2021-12-07 | — | — | CN | claimed |