Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 7/20 | 0.47 |
| ▸ | MME | P08473 | 2/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | CCR4 | P51679 | 2/20 | 0.42 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7138527 | 1.00 | ECE1 (0.47) | ECE1MMEACEHDAC3HDAC4 | |
| SCHEMBL7142759 | 0.91 | ALDH1A1 (0.47) | ECE1MMEACEHDAC3HDAC4 | |
| SCHEMBL7137948 | 0.91 | ALDH1A1 (0.47) | ECE1MMEACEHDAC3HDAC4 | |
| SCHEMBL7144246 | 0.90 | ECE1 (0.48) | ECE1MMEACECCR4BDKRB1 | |
| SCHEMBL7135957 | 0.90 | ECE1 (0.48) | ECE1MMEACECCR4BDKRB1 | |
| SCHEMBL7143073 | 0.87 | ECE1 (0.44) | ECE1MMEACEHDAC3HDAC4 | |
| SCHEMBL7146973 | 0.87 | ECE1 (0.44) | ECE1MMEACEHDAC3HDAC4 | |
| SCHEMBL7142537 | 0.87 | LMNA (0.49) | ECE1MMEACELMNAALDH1A1 | |
| SCHEMBL7144635 | 0.87 | LMNA (0.49) | ECE1MMEACELMNAALDH1A1 | |
| SCHEMBL7136953 | 0.87 | ECE1 (0.48) | ECE1MMEACEHDAC3HDAC4 |
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 | ECE1 4/4885MME 99/4885ACE 44/4885 |
“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.