Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.50 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 13/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9723166 | 0.84 | ALDH1A1 (0.53) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL5949926 | 0.82 | AR (0.40) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL8728263 | 0.82 | ALDH1A1 (0.48) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL4696500 | 0.82 | ALDH1A1 (0.55) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL7366475 | 0.81 | ALDH1A1 (0.50) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL16122424 | 0.81 | ALDH1A1 (0.50) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL31195176 | 0.79 | ALDH1A1 (0.49) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL120437 | 0.79 | L3MBTL1 (0.39) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL14720150 | 0.79 | ALOX5AP (0.42) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL23880593 | 0.78 | ALDH1A1 (0.52) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 |
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 12 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-0346367-A1 | ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-12-20 | — | — | EP | disclosed |
| WO-1988006580-A1 | ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-09-07 | — | — | WO | disclosed |
| EP-0237929-A1 | 3,5-Disubstituted pyrocatechol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-23 | — | — | EP | disclosed |
| EP-0080012-A1 | 6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate | SMITHKLINE BECKMAN CORPORATION (US) | 1983-06-01 | — | — | EP | disclosed |
| US-4265890-A | ANTIPSYCHOTIC, ANTIEMETICS | SMITHKLINE CORPORATION (US) | 1981-05-05 | — | — | US | disclosed |
| EP-0007070-A1 | 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity | SMITHKLINE BECKMAN CORPORATION (US) | 1980-01-23 | — | — | EP | disclosed |