Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.47 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.43 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7371231 | 0.92 | CFTR (0.65) | CFTR | |
| SCHEMBL7371972 | 0.83 | ALDH1A1 (0.55) | CFTRALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL981153 | 0.73 | CFTR (0.64) | CFTRALDH1A1NPSR1CYP1A2GLA | |
| SCHEMBL19032805 | 0.72 | CFTR (1.00) | CFTRIRAK4MAPT | |
| SCHEMBL29497971 | 0.72 | CFTR (1.00) | CFTRIRAK4MAPT | |
| SCHEMBL9318480 | 0.70 | TLR8 (0.63) | ALDH1A1NPSR1CYP1A2GLACYP2D6 | |
| SCHEMBL981905 | 0.69 | KDM4E (0.55) | CFTRALDH1A1NPSR1CYP1A2GLA | |
| SCHEMBL982260 | 0.69 | CFTR (0.55) | CFTRALDH1A1NPSR1CYP1A2GLA | |
| SCHEMBL13694766 | 0.68 | CFTR (0.61) | CFTRALDH1A1CYP1A2CYP2D6KDM4E | |
| SCHEMBL10834022 | 0.68 | TLR8 (0.68) | ALDH1A1NPSR1CYP1A2GLACYP2D6 |
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 6 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 |