Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CPT2 | P23786 | 1/20 | 0.33 |
| ▸ | CPT1A | P50416 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | WHR1 | P49842 | 1/20 | 0.32 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.32 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16617754 | 1.00 | CTSK (0.38) | CTSKSLC6A2SLC6A4DGAT1SLC6A3 | |
| SCHEMBL16617854 | 0.89 | CTSK (0.38) | CTSKSMN1; SMN2HTTKCNK3KCNK9 | |
| SCHEMBL16617302 | 0.87 | CTSK (0.54) | CTSKSLC6A2SLC6A4DGAT1ALDH1A1 | |
| SCHEMBL16617304 | 0.87 | CTSK (0.47) | CTSKSLC6A2SLC6A4DGAT1 | |
| SCHEMBL16617294 | 0.78 | CTSK (0.48) | CTSKSLC6A2SLC6A4ACKR3ALDH1A1 | |
| SCHEMBL16617295 | 0.78 | CTSK (0.48) | CTSKSLC6A2SLC6A4ACKR3ALDH1A1 | |
| SCHEMBL16638066 | 0.78 | CTSK (0.48) | CTSKSLC6A2SLC6A4ACKR3ALDH1A1 | |
| SCHEMBL16617938 | 0.77 | SLC6A2 (0.41) | CTSKSLC6A2SLC6A4SLC6A3ACKR3 | |
| SCHEMBL16617324 | 0.76 | ACKR3 (0.46) | CTSKSLC6A2SLC6A4ACKR3ALDH1A1 | |
| SCHEMBL16617323 | 0.76 | ACKR3 (0.46) | CTSKSLC6A2SLC6A4ACKR3ALDH1A1 |
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-3055314-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-09-12 | — | — | EP | disclosed |
| US-9458181-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-10-04 | — | — | US | disclosed |
| US-20150099719-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2015-04-09 | — | — | US | 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-20150099719-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | CTSK 4/4885SLC6A2 4308/4885SLC6A4 4386/4885 |
“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.