Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | JUND | P17535 | 1/20 | 0.36 |
| ▸ | FOSB | P53539 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30615102 | 1.00 | CYP3A4 (0.42) | CYP3A4KMT2ACYP1A2MEN1GAA | |
| SCHEMBL29091634 | 0.81 | PDE2A (0.34) | CYP3A4KMT2ACYP1A2MEN1GAA | |
| SCHEMBL30615095 | 0.81 | ERN1 (0.42) | CYP3A4KMT2ACYP1A2MEN1GAA | |
| SCHEMBL22715357 | 0.81 | NQO2 (0.44) | KMT2AMEN1GAAERN1NQO2 | |
| SCHEMBL30615221 | 0.81 | PDE2A (0.34) | CYP3A4KMT2ACYP1A2MEN1GAA | |
| SCHEMBL29091623 | 0.81 | ERN1 (0.42) | CYP3A4KMT2ACYP1A2MEN1GAA | |
| SCHEMBL30615098 | 0.81 | ADORA2A (0.35) | CYP3A4CYP1A2CYP2D6CYP2C19PDE3A | |
| SCHEMBL29091670 | 0.81 | ADORA2A (0.35) | CYP3A4CYP1A2CYP2D6CYP2C19PDE3A | |
| SCHEMBL20521814 | 0.78 | CYP3A4 (0.44) | CYP3A4KMT2ACYP1A2MEN1GAA | |
| SCHEMBL11213463 | 0.76 | PDE5A (0.49) | CYP3A4GAAPOLBABL1 |
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-116925100-A | Substituted thiophenoquinolinone compound and preparation method and application thereof | 深圳信立泰药业股份有限公司 | 2023-10-24 | — | — | CN | disclosed |