Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL17008263 | 1.00 | CA1 (0.39) | CA1CA2CA4CA7CA12 | |
| SCHEMBL18279735 | 0.84 | CTSK (0.42) | CA1CA2CA4CA7CA12 | |
| SCHEMBL17008215 | 0.78 | CTSK (0.56) | CA1CA2CA12CA9 | |
| SCHEMBL17008217 | 0.78 | CTSK (0.49) | CA1CA2CA4CA7CA12 | |
| SCHEMBL18279819 | 0.73 | NPC1 (0.46) | CA12CA9KDM4EPDK2NPC1 | |
| SCHEMBL18279807 | 0.73 | PDK2 (0.35) | CA1CA2CA12CA9PDK2 | |
| SCHEMBL18279779 | 0.73 | CTSK (0.43) | CA1CA2CA12CA9PDK2 | |
| SCHEMBL17008378 | 0.73 | CTSK (0.43) | CA1CA2CA12CA9PDK2 | |
| SCHEMBL18279727 | 0.73 | TRPV4 (0.33) | CA1CA2CA4CA7SLC6A3 | |
| SCHEMBL17008326 | 0.73 | TRPV4 (0.33) | CA1CA2CA4CA7SLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3104705-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-12-21 | — | — | EP | disclosed |
| WO-2015123089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |
| WO-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |