Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7367916 | 0.87 | MMP2 (0.40) | ALDH1A1MAPTTP53SMN1; SMN2NPC1 | |
| SCHEMBL7368956 | 0.80 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4BRCA1HIF1A | |
| SCHEMBL7370455 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4BRCA1HIF1A | |
| SCHEMBL7375625 | 0.78 | MMP2 (0.40) | ALDH1A1MAPTTP53SMN1; SMN2NPC1 | |
| SCHEMBL7371467 | 0.77 | ELANE (0.35) | CYP1A2CYP3A4MAPTTP53SMN1; SMN2 | |
| SCHEMBL7371469 | 0.76 | MAPT (0.36) | ALDH1A1MAPTTP53SMN1; SMN2PPARG | |
| SCHEMBL7370121 | 0.74 | MAPT (0.43) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7372530 | 0.73 | MAPT (0.43) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7369595 | 0.70 | HPGD (0.46) | ALDH1A1MAPTTP53RAB9ARXFP1 | |
| SCHEMBL7367777 | 0.68 | MAPT (0.54) | ALDH1A1MAPTTP53SMN1; SMN2NPC1 |
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 |