Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.71 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.46 |
| ▸ | ITGAV | P06756 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7136752 | 0.90 | PRSS1 (0.71) | PRSS1TPSAB1NPC1ITGB3ITGAV | |
| SCHEMBL11517533 | 0.83 | PRSS1 (0.60) | PRSS1TPSAB1ITGB3ITGAVGAA | |
| SCHEMBL7505433 | 0.82 | PRSS1 (0.59) | PRSS1TPSAB1ITGB3ITGAVALDH1A1 | |
| SCHEMBL25380156 | 0.81 | PRSS1 (0.57) | PRSS1TPSAB1ALDH1A1CCR6PAX8 | |
| SCHEMBL8426730 | 0.80 | PRSS1 (0.56) | PRSS1TPSAB1NPC1ALDH1A1CCR6 | |
| SCHEMBL8571304 | 0.80 | PRSS1 (0.63) | PRSS1TPSAB1ALDH1A1CCR6PAX8 | |
| SCHEMBL7135705 | 0.79 | PRSS1 (0.56) | PRSS1TPSAB1NPC1ITGB3ITGAV | |
| SCHEMBL7146929 | 0.79 | ALDH1A1 (0.46) | PRSS1TPSAB1NPC1GAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL9116244 | 0.79 | PRSS1 (0.62) | PRSS1TPSAB1ALDH1A1CCR6PAX8 | |
| SCHEMBL25461074 | 0.78 | ABCB1 (0.55) | PRSS1TPSAB1NPC1ALDH1A1CCR6 |
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-6541638-B2 | (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction | HOFFMAN-LA ROCHE INC. | 2003-04-01 | — | — | US | disclosed |
| US-20020049243-A1 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. | 2002-04-25 | — | — | 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-20020049243-A1 | Pyrrolidine derivatives | PREP, PEPD, DNPEP | PRSS1 17/4885TPSAB1 196/4885NPC1 1617/4885 |
“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.