Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.31 |
| ▸ | COMT | P21964 | 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 | |
|---|---|---|---|---|
| SCHEMBL8040084 | 0.91 | ALDH1A1 (0.33) | TAS1R3TAS1R1TAS1R2SLC6A2SLC6A4 | |
| SCHEMBL8041249 | 0.81 | TAS1R3 (0.35) | TAS1R3TAS1R1TAS1R2COMT | |
| SCHEMBL8025508 | 0.77 | ALDH1A1 (0.37) | COMT | |
| SCHEMBL8037861 | 0.76 | PPIA (0.41) | TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL8035584 | 0.75 | LRRK2 (0.36) | SMYD3TAS1R3TAS1R1TAS1R2SLC6A2 | |
| SCHEMBL8028359 | 0.74 | SMN1; SMN2 (0.35) | TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL8037250 | 0.74 | TAS1R3 (0.45) | TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL8037862 | 0.73 | CYP3A4 (0.38) | CYP3A4DCUN1D1COMT | |
| SCHEMBL8040243 | 0.72 | PPIA (0.47) | — | |
| SCHEMBL8035603 | 0.72 | RAB9A (0.40) | — |
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 |