Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.73 |
| ▸ | NPC1 | O15118 | 2/20 | 0.73 |
| ▸ | RAB9A | P51151 | 2/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.59 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.58 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.57 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL14495130 | 0.89 | SMN1; SMN2 (0.71) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL6819817 | 0.87 | KMT2A (0.62) | SMN1; SMN2NPC1RAB9AHPGDPDE4D | |
| SCHEMBL6811211 | 0.84 | SMN1; SMN2 (1.00) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL7047105 | 0.84 | SMN1; SMN2 (0.80) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL8843753 | 0.84 | SMN1; SMN2 (0.71) | SMN1; SMN2NPC1RAB9AHPGDPDE4D | |
| SCHEMBL1119481 | 0.83 | NPC1 (0.78) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL341249 | 0.83 | SMN1; SMN2 (0.78) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL6246974 | 0.83 | SMN1; SMN2 (0.78) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL31194744 | 0.83 | NPC1 (0.78) | SMN1; SMN2NPC1RAB9AHPGDKMT2A | |
| SCHEMBL7373375 | 0.83 | TRPV1 (0.62) | SMN1; SMN2NPC1RAB9APDE4DPDE4A |
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 |