Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7048480 | 0.75 | TOP1 (0.42) | ALDH1A1MAPTCYP3A4KMT2AMEN1 | |
| SCHEMBL7046037 | 0.73 | NPC1 (0.43) | ALDH1A1MAPTCYP2C19CYP3A4KMT2A | |
| SCHEMBL13167860 | 0.73 | TSHR (0.54) | ALDH1A1MAPTKMT2AMEN1GPR17 | |
| SCHEMBL7048078 | 0.72 | TTR (0.52) | ALDH1A1MAPTCYP3A4KMT2AMEN1 | |
| SCHEMBL7049743 | 0.72 | BCL9 (0.41) | ALDH1A1HTTMAPTKMT2AMEN1 | |
| SCHEMBL660755 | 0.71 | ALDH1A1 (0.53) | ALDH1A1HTTMAPTKMT2AMEN1 | |
| SCHEMBL8620905 | 0.70 | MEN1 (0.43) | ALDH1A1HTTMAPTKMT2AMEN1 | |
| SCHEMBL4293802 | 0.69 | NPC1 (0.65) | ALDH1A1HTTMAPTCYP3A4KMT2A | |
| SCHEMBL27619877 | 0.69 | RECQL (0.52) | ALDH1A1HTTMAPTCYP3A4KMT2A | |
| SCHEMBL9007689 | 0.69 | PAX8 (0.49) | ALDH1A1HTTMAPTCYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1010688-B1 | Substituted 2-phenyl-1-(3,4-dihydroxy-5-nitrophenyl)-1-ethanones, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them | PORTELA & CA SA (PT) | 2003-04-09 | — | — | EP | disclosed |
| US-6512136-B1 | Hypotensive, antiedemic agents; gastrointestinal disorders; Parkinson*s disease treatment | PORTELA & C.A., S.A. (PT) | 2003-01-28 | — | — | US | disclosed |
| EP-1010688-A1 | Substituted 2-phenyl-1-(3,4-dihydroxy-5-nitrophenyl)-1-ethanones, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them | Portela & Ca., S.A. (PT) | 2000-06-21 | — | — | EP | disclosed |