Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.62 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.62 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.60 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | DPP4 | P27487 | 1/20 | 0.54 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.53 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6819817 | 0.85 | KMT2A (0.62) | PDE4DPDE4APDE4BPDE4CRAB9A | |
| SCHEMBL709246 | 0.83 | TDP1 (0.60) | TRPV1PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL7370610 | 0.83 | SMN1; SMN2 (0.73) | PDE4DPDE4APDE4BPDE4CRAB9A | |
| SCHEMBL6060544 | 0.83 | HTT (0.61) | ALOX5RAB9ANPC1TDP1HTT | |
| SCHEMBL26141260 | 0.81 | KDM4E (0.60) | ALOX5PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL791432 | 0.81 | SLC22A6 (0.60) | ALOX5RAB9AHTTKMT2ASLC22A6 | |
| Oxalic Acid SCHEMBL28535857 | 0.81 | HTT (0.58) | ALOX5PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL22390229 | 0.80 | CYP1A2 (0.59) | RAB9AHTTKMT2ASLC22A6SLC22A8 | |
| SCHEMBL4601794 | 0.80 | ACHE (0.73) | ALOX5PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL5190466 | 0.80 | HTT (0.65) | ALOX5RAB9ATDP1HTTKMT2A |
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 |