Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16618187 | 0.90 | CNR2 (0.35) | CNR2ALDH1A1PRCPKCNH2BACE1 | |
| SCHEMBL16617293 | 0.73 | CYP3A4 (0.44) | CYP3A4TSHRSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL16617292 | 0.73 | CYP3A4 (0.44) | CYP3A4TSHRSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL16617817 | 0.73 | CYP3A4 (0.48) | CYP3A4TSHRSMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL16617819 | 0.73 | CYP3A4 (0.48) | CYP3A4TSHRSMN1; SMN2CYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL16617312 | 0.70 | CYP1A2 (0.44) | CYP3A4TSHRSMN1; SMN2CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL16617310 | 0.70 | CYP1A2 (0.44) | CYP3A4TSHRSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL16617968 | 0.68 | CYP3A4 (0.39) | CYP3A4TSHRSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL16617969 | 0.68 | CYP3A4 (0.39) | CYP3A4TSHRSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL19249270 | 0.67 | GRM5 (0.55) | SMN1; SMN2ALDH1A1 |
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 | CYP3A4 4149/4885TSHR 3675/4885SMN1; SMN2 4512/4885 |
“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.