Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8025508 | 0.87 | ALDH1A1 (0.37) | COMTPOLBALDH1A1KMT2ALMNA | |
| SCHEMBL8041249 | 0.81 | TAS1R3 (0.35) | COMTALDH1A1 | |
| SCHEMBL8039069 | 0.74 | COMT (0.40) | COMTALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL8041625 | 0.74 | EGFR (0.35) | POLBERN1ALDH1A1KMT2AMEN1 | |
| SCHEMBL8041245 | 0.74 | MAPT (0.39) | COMTPOLBALDH1A1KMT2AMEN1 | |
| SCHEMBL8037862 | 0.74 | CYP3A4 (0.38) | COMTALDH1A1LMNASMN1; SMN2MAPT | |
| SCHEMBL8035693 | 0.73 | HSP90AA1 (0.35) | COMTPOLBKMT2AMEN1 | |
| SCHEMBL8041445 | 0.73 | EPHX2 (0.41) | — | |
| SCHEMBL8035781 | 0.73 | EPHX2 (0.41) | — | |
| SCHEMBL8041408 | 0.70 | SMN1; SMN2 (0.32) | COMTPOLBALDH1A1KMT2AMEN1 |
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-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |