Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | COMT | P21964 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.31 |
| ▸ | UBE2M | P61081 | 1/20 | 0.31 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8035726 | 0.88 | CYP3A4 (0.35) | CYP3A4MAPK1MAPTTSHRTDP1 | |
| SCHEMBL8040235 | 0.84 | CYP3A4 (0.30) | CYP3A4MAPK1TSHRTDP1 | |
| SCHEMBL8035149 | 0.82 | NPSR1 (0.36) | CYP3A4MAPK1MAPTTSHRTDP1 | |
| SCHEMBL8035781 | 0.80 | EPHX2 (0.41) | — | |
| SCHEMBL8041445 | 0.80 | EPHX2 (0.41) | — | |
| SCHEMBL8035145 | 0.77 | LRRK2 (0.35) | CYP3A4MAPTCOMTTDP1ALDH1A1 | |
| SCHEMBL8035603 | 0.76 | RAB9A (0.40) | MAPTALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL8035695 | 0.74 | COMT (0.32) | COMT | |
| SCHEMBL8035622 | 0.74 | COMT (0.37) | MAPK1MAPTCOMTALDH1A1SMN1; SMN2 | |
| SCHEMBL8041408 | 0.73 | SMN1; SMN2 (0.32) | MAPK1MAPTCOMTALDH1A1SMN1; SMN2 |
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 |