Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 8/20 | 0.66 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.58 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.58 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.58 |
| ▸ | PGR | P06401 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | RARB | P10826 | 1/20 | 0.58 |
| ▸ | COMT | P21964 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.58 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL16098896 | 0.93 | TTR (0.59) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL4893026 | 0.90 | GPR35 (0.69) | TTRGPR35KDM4EMEN1ALDH1A1 | |
| SCHEMBL7368380 | 0.85 | TTR (0.81) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL4901895 | 0.84 | GPR35 (0.61) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL30606818 | 0.83 | TTR (0.63) | TTRGPR35ABCC3ABCC4NR1I2 | |
| Bromide SCHEMBL7365276 | 0.83 | TTR (0.78) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL644782 | 0.83 | TTR (0.63) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL7374224 | 0.81 | TTR (0.61) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL6036460 | 0.81 | TTR (0.62) | TTRGPR35ABCC3ABCC4NR1I2 | |
| SCHEMBL30553550 | 0.81 | TTR (0.61) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014147464-A2 | NOVEL PROCESS FOR THE PREPARATION OF TOLCAPONE | RA CHEM PHARMA LIMITED (IN) | 2014-09-25 | — | — | WO | claimed |
| WO-2014147464-A2 | NOVEL PROCESS FOR THE PREPARATION OF TOLCAPONE | RA CHEM PHARMA LIMITED (IN) | 2014-09-25 | — | — | WO | disclosed |
| WO-2014147464-A2 | NOVEL PROCESS FOR THE PREPARATION OF TOLCAPONE | RA CHEM PHARMA LIMITED (IN) | 2014-09-25 | — | — | WO | disclosed |