Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAT2A | P31153 | 3/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.36 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.36 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22522218 | 0.85 | XDH (0.46) | ALDH1A1TET2TET1ROCK2SMN1; SMN2 | |
| SCHEMBL22809686 | 0.79 | ROCK2 (0.36) | ALDH1A1ALOX15HTTATMLCK | |
| SCHEMBL20019313 | 0.79 | MAT2A (0.39) | ALDH1A1ALOX15HTTATMMAT2A | |
| SCHEMBL2113288 | 0.78 | SMN1; SMN2 (0.52) | ALDH1A1ATMMAT2ATET2TET1 | |
| SCHEMBL22234143 | 0.76 | TDP1 (0.40) | ALDH1A1ALOX15HTTATMTET2 | |
| SCHEMBL22995728 | 0.75 | XDH (0.42) | ALDH1A1ALOX15HTTATMROCK2 | |
| SCHEMBL21508041 | 0.75 | ALDH1A1 (0.35) | ALDH1A1ALOX15HTTATMROCK2 | |
| SCHEMBL24017805 | 0.75 | HCAR1 (0.42) | ALDH1A1HTTLCKKITSRC | |
| SCHEMBL22522557 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TET2TET1SMN1; SMN2LMNA | |
| SCHEMBL22236033 | 0.74 | PDE4D (0.32) | LCKKITSRCROCK2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3702355-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE, THE PREPARATION AND APPLICATION THEREOF | Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) | 2020-09-02 | — | — | EP | disclosed |