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 | 1.00 |
| ▸ | TTR | P02766 | 8/20 | 1.00 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 1/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 1/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | NR3C1 | P04150 | 1/20 | 1.00 |
| ▸ | PGR | P06401 | 1/20 | 1.00 |
| ▸ | HTR1A | P08908 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | RARB | P10826 | 1/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 1/20 | 1.00 |
| ▸ | ADORA1 | P30542 | 1/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 1/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 1/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 1.00 |
| ▸ | KLF10 | Q13118 | 1/20 | 1.00 |
| ▸ | PDE3A | Q14432 | 1/20 | 1.00 |
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 SCHEMBL33869 | 1.00 | TTR (1.00) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL29360457 | 1.00 | TTR (1.00) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL28597786 | 0.98 | TTR (0.97) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL21438679 | 0.94 | TTR (0.89) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL29004414 | 0.93 | TTR (0.87) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL18805094 | 0.88 | TTR (0.78) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL7363677 | 0.88 | TTR (0.78) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL7368380 | 0.87 | TTR (0.81) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL4391775 | 0.86 | TTR (0.73) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Bromide SCHEMBL7365276 | 0.85 | TTR (0.78) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3675838-A1 | LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS | Puretecch LYT, Inc. (US) | 2020-07-08 | — | — | EP | disclosed |
| WO-2019046491-A1 | LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS | ARIYA THERAPEUTICS, INC. (US) | 2019-03-07 | — | — | WO | disclosed |
| CN-1960781-A | Therapeutic combination for treatment of alzheimers disease | WARNER LAMBERT CO (US) | 2007-05-09 | — | — | CN | disclosed |
| EP-1737539-A1 | THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE | Warner-Lambert Company LLC (US) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005099823-A1 | THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE | WARNER-LAMBERT COMPANY LLC (US) | 2005-10-27 | — | — | WO | disclosed |
| EP-1211627-A1 | Method and system for registration, identifying and processing of drug specific data | TheraSTrat AG (CH) | 2002-06-05 | — | — | EP | disclosed |