Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 2/20 | 0.32 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.32 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16636564 | 1.00 | SLC6A2 (0.39) | SLC6A2SLC6A4CNR2KDM1AALDH1A1 | |
| SCHEMBL16636090 | 0.85 | ALDH1A1 (0.37) | KDM1AALDH1A1FABP4FABP5SCN9A | |
| SCHEMBL16636392 | 0.84 | SLC6A2 (0.39) | SLC6A2SLC6A4CNR2ALDH1A1CPT2 | |
| SCHEMBL16636390 | 0.84 | SLC6A2 (0.39) | SLC6A2SLC6A4CNR2ALDH1A1CPT2 | |
| SCHEMBL16636099 | 0.79 | SLC6A2 (0.45) | SLC6A2SLC6A4CNR2ALDH1A1CPT2 | |
| SCHEMBL16635696 | 0.78 | CTSB (0.42) | SLC6A2SLC6A4KDM1AALDH1A1LMNA | |
| SCHEMBL16635697 | 0.78 | CTSB (0.42) | SLC6A2SLC6A4KDM1AALDH1A1LMNA | |
| SCHEMBL16635693 | 0.77 | SLC6A2 (0.36) | SLC6A2SLC6A4CNR2 | |
| SCHEMBL16635691 | 0.77 | SLC6A2 (0.36) | SLC6A2SLC6A4CNR2 | |
| SCHEMBL16635783 | 0.74 | SLC6A2 (0.46) | SLC6A2SLC6A4CPT1ALMNA |
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 5 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 |
| US-9573913-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-02-21 | — | — | US | disclosed |
| US-20160244417-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-08-25 | — | — | US | disclosed |
| EP-3054947-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054038-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160244417-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | SLC6A2 4308/4885SLC6A4 4386/4885CNR2 3113/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.