Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.62 |
| ▸ | HPGD | P15428 | 6/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.62 |
| ▸ | GLA | P06280 | 2/20 | 0.62 |
| ▸ | THRB | P10828 | 2/20 | 0.62 |
| ▸ | CSNK2A2 | P19784 | 4/20 | 0.59 |
| ▸ | CSNK2B | P67870 | 4/20 | 0.59 |
| ▸ | CSNK2A1 | P68400 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9528168 | 0.88 | LCK (0.78) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL29386758 | 0.87 | CYP3A4 (0.71) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL529382 | 0.87 | CYP3A4 (0.71) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL29149089 | 0.79 | LCK (0.76) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 | |
| 3',4'-Dimethoxyflavone SCHEMBL1675954 | 0.77 | CYP3A4 (1.00) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL312104 | 0.77 | TNKS (0.66) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 | |
| 3',4'-Dimethoxyflavone SCHEMBL29623082 | 0.77 | CYP3A4 (1.00) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL7366127 | 0.77 | FTO (0.73) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL30626959 | 0.77 | LCK (0.72) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL312311 | 0.76 | TNKS (0.64) | LCKALDH1A1CYP3A4HPGDSMN1; SMN2 |
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 |