Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 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 | |
|---|---|---|---|---|
| SCHEMBL4600817 | 0.72 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3GAAALDH1A1 | |
| SCHEMBL8224599 | 0.71 | ADRA2C (0.45) | CYP3A4CYP2C19ALDH1A1POLBMAPT | |
| SCHEMBL6803687 | 0.71 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A | |
| SCHEMBL13799349 | 0.71 | HPGD (0.52) | SLC6A3CYP3A4CYP2C19ALDH1A1POLB | |
| SCHEMBL1038300 | 0.71 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3GAACYP3A4 | |
| SCHEMBL22959417 | 0.70 | ALDH1A1 (0.34) | SLC6A3CYP3A4CYP2C19ALDH1A1POLB | |
| SCHEMBL8118811 | 0.70 | HDAC1 (0.56) | SLC6A3GAAPOLBKMT2AMEN1 | |
| SCHEMBL22959453 | 0.69 | ALDH1A1 (0.43) | CYP3A4CYP2C19ALDH1A1POLBKMT2A | |
| SCHEMBL4076934 | 0.69 | SLC6A3 (0.68) | SLC6A2SLC6A4SLC6A3GAACYP3A4 | |
| SCHEMBL20496887 | 0.69 | ALDH1A1 (0.62) | SLC6A2SLC6A4SLC6A3ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021022932-A1 | α-SUBSTITUTED PHENYL STRUCTURE-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND DISINFECTANT | 郑州大学 | 2021-02-11 | — | — | WO | disclosed |