Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.57 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.57 |
| ▸ | ECE1 | P42892 | 5/20 | 0.53 |
| ▸ | MME | P08473 | 2/20 | 0.53 |
| ▸ | ACE | P12821 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | CCR4 | P51679 | 3/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7135958 | 1.00 | AKR1C3 (0.57) | AKR1C3AKR1C1ECE1MMEACE | |
| SCHEMBL7143498 | 1.00 | AKR1C3 (0.57) | AKR1C3AKR1C1ECE1MMEACE | |
| SCHEMBL7143508 | 1.00 | AKR1C3 (0.57) | AKR1C3AKR1C1ECE1MMEACE | |
| SCHEMBL7150595 | 0.90 | ECE1 (0.55) | AKR1C3AKR1C1ECE1MMEACE | |
| SCHEMBL7150599 | 0.90 | ECE1 (0.55) | AKR1C3AKR1C1ECE1MMEACE | |
| SCHEMBL7137955 | 0.89 | AKR1C3 (0.63) | AKR1C3AKR1C1ECE1MMEACE | |
| SCHEMBL7137950 | 0.89 | AKR1C3 (0.63) | AKR1C3AKR1C1ECE1MMEACE | |
| SCHEMBL7151653 | 0.88 | ECE1 (0.56) | AKR1C3AKR1C1ECE1MMEACE | |
| SCHEMBL7151655 | 0.88 | ECE1 (0.56) | AKR1C3AKR1C1ECE1MMEACE | |
| SCHEMBL7135751 | 0.86 | KMT2A (0.68) | ECE1MMEACEKMT2ALMNA |
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 6 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 | claimed |
| US-20020049243-A1 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. | 2002-04-25 | — | — | US | claimed |
| EP-1303485-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| 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 |
| WO-2002006222-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | 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 | AKR1C3 1685/4885AKR1C1 1596/4885ECE1 4/4885 |
“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.