Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.32 |
| ▸ | POLA1 | P09884 | 2/20 | 0.31 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.31 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18010294 | 1.00 | BTK (0.35) | BTKSMN1; SMN2TSHRCYP1A2CYP3A4 | |
| SCHEMBL16636110 | 0.79 | HCRTR1 (0.36) | BTKSMN1; SMN2MAPK1CPT2CPT1A | |
| SCHEMBL18010297 | 0.79 | HCRTR1 (0.36) | BTKSMN1; SMN2MAPK1CPT2CPT1A | |
| SCHEMBL16635762 | 0.74 | FNTA (0.43) | BTKSMN1; SMN2TSHRCYP1A2CYP3A4 | |
| SCHEMBL16635949 | 0.72 | SLC6A2 (0.48) | BTKSMN1; SMN2TSHRCYP1A2CYP3A4 | |
| SCHEMBL16635947 | 0.72 | SLC6A2 (0.48) | BTKSMN1; SMN2TSHRCYP1A2CYP3A4 | |
| SCHEMBL31435818 | 0.67 | TRPA1 (0.40) | SMN1; SMN2POLA1PKM | |
| SCHEMBL317325 | 0.66 | TRPA1 (0.46) | SMN1; SMN2CYP2C19MAPK1POLA1 | |
| SCHEMBL27631603 | 0.63 | CYP11B2 (0.45) | SMN1; SMN2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15974938 | 0.62 | ALDH1A1 (0.43) | SMN1; SMN2CYP1A2CYP2D6CYP2C19 |
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 |