Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tolcapone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT known ✓ | P21964 | 1/20 | 0.73 |
| ▸ | TTR | P02766 | 7/20 | 0.73 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.73 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.73 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.73 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.73 |
| ▸ | PGR | P06401 | 1/20 | 0.73 |
| ▸ | HTR1A | P08908 | 1/20 | 0.73 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.73 |
| ▸ | RARB | P10826 | 1/20 | 0.73 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.73 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.73 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.73 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.73 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| Tolcapone SCHEMBL5496772 | 0.86 | TTR (1.00) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL29360457 | 0.86 | TTR (1.00) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL33869 | 0.86 | TTR (1.00) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL28597786 | 0.84 | TTR (0.97) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Nitecapone SCHEMBL7039409 | 0.84 | GPR35 (1.00) | GPR35ABCC3ABCC4ABCB11COMT | |
| Nitecapone SCHEMBL128420 | 0.84 | GPR35 (1.00) | GPR35ABCC3ABCC4ABCB11COMT | |
| Nitecapone SCHEMBL30489171 | 0.84 | GPR35 (1.00) | GPR35ABCC3ABCC4ABCB11COMT | |
| Tolcapone SCHEMBL21438679 | 0.83 | TTR (0.89) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL8848337 | 0.82 | GPR35 (0.64) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL8848340 | 0.82 | GPR35 (0.64) | TTRGPR35ABCC3ABCC4NR1I2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8772346-B2 | Pharmaceutical composition | TORRENT PHARMACEUTICALS LIMITED (IN) | 2014-07-08 | — | — | US | disclosed |
| US-20090298944-A1 | PHARMACEUTICAL COMPOSITION | GOUR SAMANTA | 2009-12-03 | — | — | US | disclosed |
| EP-1954256-A2 | PHARMACEUTICAL COMPOSITION COMPRISING A COMPOUND HAVING A CATECHOL MOIETY AND AN ALKALISING AGENT | Torrent Pharmaceuticals Ltd (IN) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007069274-A2 | PHARMACEUTICAL COMPOSITION COMPRISING A COMPOUND HAVING A CATECHOL MOIETY AND AN ALKALISING AGENT | TORRENT PHARMACEUTICALS LIMITED (IN) | 2007-06-21 | — | — | WO | disclosed |