Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.89 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.89 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.81 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.81 |
| ▸ | TSHR | P16473 | 1/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.81 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | GAA | P10253 | 2/20 | 0.69 |
| ▸ | HTT | P42858 | 2/20 | 0.68 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.63 |
| ▸ | TUBB | P07437 | 1/20 | 0.63 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.63 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.63 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.63 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.63 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL15814046 | 0.94 | SLC22A6 (1.00) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1493250 | 0.90 | CYP1A2 (1.00) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9364577 | 0.88 | CYP1A2 (0.96) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28149671 | 0.87 | SLC22A6 (0.86) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL30355063 | 0.87 | SLC22A6 (0.86) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7373760 | 0.86 | SLC22A6 (0.83) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1545793 | 0.86 | SLC22A6 (0.83) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7367568 | 0.86 | SLC22A6 (0.83) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7374991 | 0.84 | SLC22A6 (0.80) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7371991 | 0.84 | SLC22A6 (0.80) | SLC22A6SLC22A8CYP1A2CYP3A4CYP2C9 |
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 |