Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5784144 | 0.82 | SLC6A2 (0.52) | SLC6A2TAAR1LMNACYP2D6ATM | |
| SCHEMBL3813415 | 0.80 | ESR1 (0.39) | SLC6A2TAAR1ESR1ESR2 | |
| SCHEMBL11858655 | 0.78 | SLC6A2 (0.54) | SLC6A2TAAR1LMNACYP2D6ATM | |
| SCHEMBL6825275 | 0.78 | SLC6A4 (0.55) | SLC6A2TAAR1LMNACYP2D6CYP1A2 | |
| SCHEMBL3832287 | 0.78 | SLC6A2 (0.59) | SLC6A2TAAR1LMNACYP2D6ATM | |
| SCHEMBL11043392 | 0.78 | SLC6A2 (0.48) | SLC6A2TAAR1LMNACYP2D6ATM | |
| SCHEMBL10891578 | 0.78 | SLC6A2 (0.48) | SLC6A2TAAR1LMNACYP2D6ATM | |
| SCHEMBL4832946 | 0.77 | SLC6A2 (0.47) | SLC6A2TAAR1LMNACYP2D6ATM | |
| SCHEMBL5598005 | 0.77 | SLC6A2 (0.47) | SLC6A2TAAR1LMNACYP2D6ATM | |
| SCHEMBL31118127 | 0.77 | SLC6A2 (0.47) | SLC6A2TAAR1LMNACYP2D6ATM |
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-112679381-A | Method for synthesizing beta-ketonitrile and derivative thereof | 温州医科大学 | 2021-04-20 | — | — | CN | disclosed |