Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8035149 | 0.92 | NPSR1 (0.36) | LRRK2LMNAALDH1A1CYP2C19MEN1 | |
| SCHEMBL8035726 | 0.90 | CYP3A4 (0.35) | LRRK2LMNAALDH1A1CYP2C19MEN1 | |
| SCHEMBL8028327 | 0.81 | POLB (0.37) | ALDH1A1CYP2C19MEN1KMT2APOLB | |
| SCHEMBL8034312 | 0.80 | TBXA2R (0.38) | — | |
| SCHEMBL8023142 | 0.79 | ALDH1A1 (0.39) | LRRK2LMNAALDH1A1CYP2C19MEN1 | |
| SCHEMBL8036201 | 0.79 | EPHX2 (0.39) | — | |
| SCHEMBL8038463 | 0.79 | EPHX2 (0.39) | — | |
| SCHEMBL8025559 | 0.78 | MAPT (0.37) | LRRK2LMNAALDH1A1CYP2C19KMT2A | |
| SCHEMBL8037015 | 0.78 | ALDH1A1 (0.45) | LMNAALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL8037862 | 0.77 | CYP3A4 (0.38) | COMTLMNAALDH1A1CYP3A4TDP1 |
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 |