Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 4/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | GRM6 | O15303 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.39 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7450595 | 0.96 | GPR35 (0.42) | VCAM1TPMTGPR35EGFRGRM6 | |
| SCHEMBL7373383 | 0.84 | TPMT (0.44) | VCAM1TPMTGPR35EGFRGRM6 | |
| SCHEMBL8728250 | 0.82 | GPR35 (0.53) | VCAM1GPR35GRM6GRIA1GRIA2 | |
| SCHEMBL7371372 | 0.75 | KDM4E (0.49) | TPMTGPR35ALDH1A1MAPT | |
| SCHEMBL2958280 | 0.75 | VCAM1 (0.51) | VCAM1GPR35GRM6GRIA1GRIA2 | |
| SCHEMBL16901738 | 0.73 | GPR35 (0.44) | VCAM1TPMTGPR35GRM6GRIA1 | |
| SCHEMBL9736340 | 0.73 | VCAM1 (0.49) | VCAM1TPMTGPR35GRM6GRIA1 | |
| SCHEMBL9395751 | 0.72 | IMPDH2 (0.44) | VCAM1TPMTGPR35GRM6GRIA1 | |
| SCHEMBL9005399 | 0.72 | TPMT (0.49) | VCAM1TPMTGPR35ALDH1A1MAPT | |
| SCHEMBL3648533 | 0.72 | MERTK (0.48) | VCAM1EGFRHTTALDH1A1MAPT |
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 |