Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 13/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.41 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 2/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.39 |
| ▸ | USP7 | Q93009 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6901806 | 0.69 | CTSA (0.34) | CTSABTKMAPK14 | |
| SCHEMBL29464843 | 0.63 | SCN9A (0.40) | FYN | |
| SCHEMBL28715902 | 0.63 | SCN9A (0.40) | FYN | |
| SCHEMBL12999610 | 0.61 | PTGS2 (0.40) | CTSA | |
| SCHEMBL11947311 | 0.61 | CTSA (0.39) | CTSABTKITK | |
| SCHEMBL23888674 | 0.61 | — | — | |
| SCHEMBL31483168 | 0.61 | — | — | |
| SCHEMBL17498368 | 0.60 | GSK3B (0.48) | FYNCTSABTKITK | |
| SCHEMBL31754030 | 0.60 | GSK3B (0.48) | FYNCTSABTKITK | |
| SCHEMBL443415 | 0.60 | PDGFRB (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2542076-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011109254-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |