Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 8/20 | 0.62 |
| ▸ | FASN | P49327 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.43 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.43 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.43 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1738859 | 0.82 | FASN (0.68) | CNR2FASNCNR1ALDH1A1GABRA1 | |
| SCHEMBL8542530 | 0.80 | CA12 (0.61) | CNR2ALDH1A1TDP1L3MBTL1PTGS2 | |
| SCHEMBL7365721 | 0.80 | TTR (0.58) | CNR2CNR1ABCC9ABCC8KCNJ11 | |
| Benzophenone SCHEMBL17818513 | 0.78 | ALDH1A1 (0.64) | CNR2ALDH1A1ATMTDP1L3MBTL1 | |
| SCHEMBL8731830 | 0.77 | KDM4E (0.42) | CNR2ALDH1A1TDP1L3MBTL1PTGS2 | |
| SCHEMBL3512808 | 0.77 | CNR2 (0.66) | CNR2ALDH1A1ATMTDP1L3MBTL1 | |
| SCHEMBL7369949 | 0.75 | CA5A (0.43) | CNR2ALDH1A1TDP1L3MBTL1PTGS2 | |
| SCHEMBL28858093 | 0.75 | MEN1 (0.59) | CNR2FASNCNR1ALDH1A1GABRA1 | |
| SCHEMBL28582451 | 0.75 | CNR2 (0.46) | CNR2ALDH1A1ATMTDP1L3MBTL1 | |
| SCHEMBL29043223 | 0.73 | KMT2A (0.53) | CNR2ALDH1A1ATMTDP1L3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5705703-A | ENZYME INHIBITORS OF TRANSFERASES | HOFFMANN-LA ROCHE INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5633371-A | ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5476875-A | Catechol derivatives | HOFFMAN-LA ROCHE INC. (US) | 1995-12-19 | — | — | US | disclosed |
| US-5389653-A | Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease | HOFFMAN-LA ROCHE INC. (US) | 1995-02-14 | — | — | US | disclosed |
| US-5236952-A | Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa | HOFFMANN-LA ROCHE INC. (US) | 1993-08-17 | — | — | US | disclosed |
| EP-0237929-B1 | 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-02 | — | — | EP | disclosed |
| EP-0237929-A1 | 3,5-Disubstituted pyrocatechol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-23 | — | — | EP | disclosed |