Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.36 |
| ▸ | MAOB | P27338 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL20234378 | 0.85 | MAOA (0.40) | MAOAMAOBCYP2A6MEN1KMT2A | |
| SCHEMBL24362739 | 0.81 | MAOA (0.36) | MAOAMAOBMEN1KMT2APRKCI | |
| SCHEMBL20234384 | 0.81 | BRD4 (0.41) | MAOAMEN1KMT2AMAPK1NPSR1 | |
| SCHEMBL30067610 | 0.79 | BRD4 (0.40) | MAOAMAOBCYP2A6MEN1KMT2A | |
| SCHEMBL29673201 | 0.78 | MAOA (0.39) | MAOAMAOBCYP2A6MEN1KMT2A | |
| SCHEMBL4637516 | 0.78 | MAOA (0.39) | MAOAMAOBCYP2A6MEN1KMT2A | |
| SCHEMBL8459403 | 0.78 | MAOA (0.44) | MAOAMAOBCYP2A6MEN1KMT2A | |
| SCHEMBL30070487 | 0.78 | MAOA (0.44) | MAOAMAOBCYP2A6MEN1KMT2A | |
| SCHEMBL24362559 | 0.77 | ALDH1A1 (0.38) | MAOAMAOBMAPK1NPSR1BRD4 | |
| SCHEMBL24362698 | 0.76 | ALDH1A1 (0.40) | MEN1KMT2AMAPK1NPSR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1191008-B1 | COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | DAINIPPON INK & CHEMICALS (JP) | 2005-02-09 | — | — | EP | disclosed |