Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 3/20 | 0.73 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 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 |
| ▸ | COMT | P21964 | 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 | |
|---|---|---|---|---|
| SCHEMBL10037252 | 1.00 | TTR (0.73) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL7103159 | 0.90 | VCAM1 (0.65) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL867944 | 0.85 | VCAM1 (0.69) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL29360457 | 0.84 | TTR (1.00) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL33869 | 0.84 | TTR (1.00) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL18805094 | 0.84 | TTR (0.78) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Tolcapone SCHEMBL5496772 | 0.84 | TTR (1.00) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Methane SCHEMBL28199058 | 0.84 | VCAM1 (0.68) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Methane SCHEMBL27604929 | 0.84 | VCAM1 (0.68) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Arsenic SCHEMBL28025098 | 0.84 | VCAM1 (0.68) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022098847-A1 | TOLCAPONE ANALOGS AND METHODS OF USE | CORINO THERAPEUTICS, INC. (US) | 2022-05-12 | — | — | WO | claimed |
| WO-2022098847-A1 | TOLCAPONE ANALOGS AND METHODS OF USE | CORINO THERAPEUTICS, INC. (US) | 2022-05-12 | — | — | WO | disclosed |