Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.43 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL368124 | 0.80 | AKR1C1 (0.54) | AKR1C1PRMT1 | |
| SCHEMBL918848 | 0.80 | AKR1C1 (0.54) | AKR1C1PRMT1 | |
| SCHEMBL389392 | 0.80 | AKR1C1 (0.54) | AKR1C1PRMT1 | |
| SCHEMBL14471520 | 0.73 | KMO (0.64) | KMOPRSS1PRSS2PRSS3HDAC8 | |
| SCHEMBL2845394 | 0.73 | KMO (0.64) | KMOPRSS1PRSS2PRSS3HDAC8 | |
| SCHEMBL10896979 | 0.71 | ESR1 (0.67) | PTGS2AKR1C1TP53 | |
| SCHEMBL23090494 | 0.70 | KMO (0.65) | KMOPRSS1PRSS2PRSS3HDAC8 | |
| SCHEMBL31752544 | 0.70 | KMO (0.95) | KMOHDAC8ERCC5FEN1DHODH | |
| SCHEMBL21887186 | 0.70 | KMO (0.72) | KMOPRSS1PRSS2PRSS3HDAC8 | |
| SCHEMBL13442275 | 0.70 | KMO (0.59) | KMOPRSS1PRSS2PRSS3HDAC8 |
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 |