Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13034151 | 0.81 | SMN1; SMN2 (0.42) | KDM4EALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL13034124 | 0.79 | TAAR1 (0.43) | KDM4EALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL13034146 | 0.78 | RXFP1 (0.49) | ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL10618516 | 0.78 | HSD17B10 (0.53) | KDM4EALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL7274336 | 0.76 | PDE4A (0.42) | KDM4ESMN1; SMN2MAPTTDP1TUBB1 | |
| SCHEMBL13034126 | 0.76 | HDAC3 (0.46) | ALDH1A1SMN1; SMN2HPGDGAA | |
| SCHEMBL10620598 | 0.76 | MEP1B (0.40) | KDM4EALDH1A1SMN1; SMN2MAPTTDP1 | |
| SCHEMBL8072931 | 0.76 | SMN1; SMN2 (0.37) | KDM4EALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL7366498 | 0.75 | POLB (0.51) | KDM4EALDH1A1MAPTTDP1 | |
| SCHEMBL13034113 | 0.75 | ALDH1A1 (0.44) | KDM4EALDH1A1SMN1; 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 5 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 |