Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | CPT1A | P50416 | 15/20 | 0.35 |
| ▸ | CPT2 | P23786 | 7/20 | 0.34 |
| ▸ | CPT1B | Q92523 | 3/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18010297 | 1.00 | HCRTR1 (0.36) | HCRTR1HCRTR2CPT1ACPT2CPT1B | |
| SCHEMBL18010294 | 0.79 | BTK (0.35) | CPT1ACPT2CPT1BBTKSMN1; SMN2 | |
| SCHEMBL16636574 | 0.79 | BTK (0.35) | CPT1ACPT2CPT1BBTKSMN1; SMN2 | |
| SCHEMBL16635682 | 0.73 | FNTA (0.44) | HCRTR1HCRTR2CPT1ACPT2CPT1B | |
| SCHEMBL16635933 | 0.72 | SLC6A2 (0.49) | HCRTR1HCRTR2CPT1ACPT2CPT1B | |
| SCHEMBL31435818 | 0.68 | TRPA1 (0.40) | SMN1; SMN2 | |
| SCHEMBL317325 | 0.66 | TRPA1 (0.46) | SMN1; SMN2MAPK1 | |
| SCHEMBL28363931 | 0.65 | KDM5A (0.35) | SMN1; SMN2 | |
| SCHEMBL27631603 | 0.64 | CYP11B2 (0.45) | SMN1; SMN2 | |
| SCHEMBL5343234 | 0.64 | KDM4E (0.45) | SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3054947-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-17 | — | — | EP | disclosed |
| EP-3054947-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015051479-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |
| WO-2015054038-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |