Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776467 | 0.75 | ALDH1A1 (0.44) | TDP1CA1CA2CA9CA12 | |
| SCHEMBL3741855 | 0.71 | KMO (0.53) | PARP1MEN1KMT2ATSHR | |
| SCHEMBL4267156 | 0.69 | MAOA (0.67) | MAOAHSD17B10CYP3A4TAAR1TDP1 | |
| SCHEMBL15837471 | 0.69 | MAOA (0.67) | MAOAHSD17B10CYP3A4TAAR1TDP1 | |
| SCHEMBL3995431 | 0.69 | MAOA (0.67) | MAOAHSD17B10CYP3A4TAAR1TDP1 | |
| SCHEMBL14396437 | 0.69 | MAOA (0.74) | MAOAHSD17B10CYP3A4TAAR1TDP1 | |
| SCHEMBL1585710 | 0.69 | L3MBTL1 (0.50) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL16519820 | 0.67 | HSD17B10 (0.65) | MAOAHSD17B10CYP3A4TAAR1TDP1 | |
| SCHEMBL173011 | 0.67 | MAOA (1.00) | MAOAHSD17B10CYP3A4TAAR1TDP1 | |
| SCHEMBL18678323 | 0.67 | HSD17B10 (0.65) | MAOAHSD17B10CYP3A4TAAR1TDP1 |
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-B1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL PORTELA & CA SA (PT) | 2015-05-27 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |