Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.64 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.59 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.59 |
| ▸ | COMT | P21964 | 2/20 | 0.59 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.59 |
| ▸ | TTR | P02766 | 1/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | RARB | P10826 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.59 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL8848340 | 1.00 | GPR35 (0.64) | GPR35ABCC3ABCC4ABCB11COMT | |
| SCHEMBL8848710 | 0.89 | GPR35 (0.65) | GPR35MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL8848706 | 0.89 | GPR35 (0.65) | GPR35MEN1KMT2AALDH1A1MAPT | |
| Tolcapone SCHEMBL4391775 | 0.82 | TTR (0.73) | GPR35ABCC3ABCC4ABCB11COMT | |
| SCHEMBL8848407 | 0.79 | DBH (0.77) | GPR35ABCC3ABCC4ABCB11COMT | |
| SCHEMBL8848409 | 0.79 | DBH (0.77) | GPR35ABCC3ABCC4ABCB11COMT | |
| Nitecapone SCHEMBL128420 | 0.78 | GPR35 (1.00) | GPR35ABCC3ABCC4ABCB11COMT | |
| Nitecapone SCHEMBL7039409 | 0.78 | GPR35 (1.00) | GPR35ABCC3ABCC4ABCB11COMT | |
| SCHEMBL7279188 | 0.78 | GPR35 (0.78) | GPR35ABCC3ABCC4ABCB11COMT | |
| SCHEMBL7279195 | 0.78 | GPR35 (0.78) | GPR35ABCC3ABCC4ABCB11COMT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0444899-B1 | Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation | ORION YHTYMAE OY (FI) | 1997-02-05 | — | — | EP | disclosed |
| US-5489614-A | MEDICINAL ANTIOXIDANTS USED IN PREVENTION AND TREATMENT OF TISSUE DAMAGE INDUCED BY LIPID PEROXIDATION | ORION-YHTYMA OY (FI) | 1996-02-06 | — | — | US | disclosed |
| EP-0444899-A2 | Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation | ORION-YHTYMÀ OY (FI) | 1991-09-04 | — | — | EP | disclosed |