Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.32 |
| ▸ | POLA1 | P09884 | 2/20 | 0.31 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.31 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL16636574 | 1.00 | BTK (0.35) | BTKSMN1; SMN2TSHRCYP1A2CYP3A4 | |
| SCHEMBL16636110 | 0.79 | HCRTR1 (0.36) | BTKSMN1; SMN2MAPK1CPT2CPT1A | |
| SCHEMBL18010297 | 0.79 | HCRTR1 (0.36) | BTKSMN1; SMN2MAPK1CPT2CPT1A | |
| SCHEMBL16635762 | 0.74 | FNTA (0.43) | BTKSMN1; SMN2TSHRCYP1A2CYP3A4 | |
| SCHEMBL16635949 | 0.72 | SLC6A2 (0.48) | BTKSMN1; SMN2TSHRCYP1A2CYP3A4 | |
| SCHEMBL16635947 | 0.72 | SLC6A2 (0.48) | BTKSMN1; SMN2TSHRCYP1A2CYP3A4 | |
| SCHEMBL31435818 | 0.67 | TRPA1 (0.40) | SMN1; SMN2POLA1PKM | |
| SCHEMBL317325 | 0.66 | TRPA1 (0.46) | SMN1; SMN2CYP2C19MAPK1POLA1 | |
| SCHEMBL27631603 | 0.63 | CYP11B2 (0.45) | SMN1; SMN2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15974938 | 0.62 | ALDH1A1 (0.43) | SMN1; SMN2CYP1A2CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
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 | BTK 1694/4885SMN1; SMN2 4512/4885TSHR 3675/4885 |
“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.