Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FTO | Q9C0B1 | 8/20 | 0.61 |
| ▸ | COMT | P21964 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3589543 | 0.79 | FTO (0.71) | FTOCOMTMEN1ALDH1A1MAPT | |
| SCHEMBL3589548 | 0.79 | FTO (0.71) | FTOCOMTMEN1ALDH1A1MAPT | |
| SCHEMBL4946977 | 0.76 | FTO (0.47) | FTOCOMTMEN1ALDH1A1MAPT | |
| SCHEMBL4943899 | 0.76 | FTO (0.47) | FTOCOMTMEN1ALDH1A1MAPT | |
| SCHEMBL20100844 | 0.76 | FTO (1.00) | FTOCOMTMEN1ALDH1A1MAPT | |
| SCHEMBL29493661 | 0.75 | FTO (0.53) | FTOCOMTMEN1ALDH1A1MAPT | |
| SCHEMBL3586620 | 0.75 | TTR (0.65) | FTOCOMTMEN1ALDH1A1MAPT | |
| SCHEMBL4948407 | 0.74 | COMT (0.46) | FTOCOMTMEN1ALDH1A1MAPT | |
| SCHEMBL4948470 | 0.72 | FTO (0.45) | FTOCOMTMEN1ALDH1A1MAPT | |
| SCHEMBL20100839 | 0.71 | FTO (1.00) | FTOCOMTMEN1ALDH1A1MAPT |
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 |