Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FTO | Q9C0B1 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 2/20 | 0.40 |
| ▸ | COMT | P21964 | 5/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL1447039 | 0.85 | FTO (0.43) | FTOMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL1447313 | 0.81 | FTO (0.53) | FTOMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL1447317 | 0.81 | FTO (0.53) | FTOMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL4947946 | 0.80 | FTO (0.41) | FTOMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL4946765 | 0.79 | FTO (0.45) | FTOMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL1446704 | 0.77 | TTR (0.53) | FTOMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL4954976 | 0.77 | FTO (0.52) | FTOMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL4951273 | 0.75 | FTO (0.50) | FTOMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL4946946 | 0.75 | FTO (0.47) | FTOMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL4943279 | 0.74 | FTO (0.48) | FTOMEN1ALDH1A1MAPTHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1907382-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | Portela & C.A. S.A (PT) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |