Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.42 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 10/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PLD2 | O14939 | 1/20 | 0.38 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16617791 | 1.00 | CYP3A4 (0.44) | CYP3A4TSHRSMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL16617817 | 0.89 | CYP3A4 (0.48) | CYP3A4TSHRSMN1; SMN2ANPEPHPGD | |
| SCHEMBL16618154 | 0.89 | TAS1R3 (0.41) | TAS1R3TAS1R1TAS1R2ANPEPPLD2 | |
| SCHEMBL16617819 | 0.89 | CYP3A4 (0.48) | CYP3A4TSHRSMN1; SMN2ANPEPHPGD | |
| SCHEMBL16638073 | 0.85 | L3MBTL1 (0.44) | CYP3A4TSHRSMN1; SMN2HPGDKMT2A | |
| SCHEMBL16617527 | 0.85 | L3MBTL1 (0.44) | CYP3A4TSHRSMN1; SMN2HPGDKMT2A | |
| SCHEMBL16646026 | 0.78 | POLB (0.43) | CYP3A4TSHRSMN1; SMN2ALDH1A1POLB | |
| SCHEMBL16617326 | 0.78 | POLB (0.41) | CYP3A4TSHRSMN1; SMN2ANPEPALDH1A1 | |
| SCHEMBL16617888 | 0.73 | POLB (0.38) | SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL16617889 | 0.73 | POLB (0.38) | SMN1; SMN2ALDH1A1POLB |
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.