Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8031645 | 0.88 | NPC1 (0.41) | PTGESALDH1A1PKMLMNA | |
| SCHEMBL8031681 | 0.83 | LRRK2 (0.38) | ALDH1A1MITFOPRK1HTTNPSR1 | |
| SCHEMBL8035584 | 0.82 | LRRK2 (0.36) | ALDH1A1MITFOPRK1HTTNPSR1 | |
| SCHEMBL8034162 | 0.81 | LRRK2 (0.38) | MAPTALDH1A1HTTLMNAKDM4E | |
| SCHEMBL8039272 | 0.79 | TRPM8 (0.41) | ALDH1A1PKMLMNAHPGD | |
| SCHEMBL8032754 | 0.79 | MEN1 (0.41) | ALDH1A1PKMLMNA | |
| SCHEMBL8034979 | 0.77 | MEN1 (0.40) | ALDH1A1PKMLMNACYP3A4 | |
| SCHEMBL8039269 | 0.77 | ALDH1A1 (0.43) | ALDH1A1PKMLMNAKDM4EHPGD | |
| SCHEMBL8034159 | 0.76 | ALDH1A1 (0.44) | MAPTALDH1A1PKMHTTNPSR1 | |
| SCHEMBL8035717 | 0.75 | ALDH1A1 (0.45) | MAPTALDH1A1HTTBCHEACHE |
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 |