Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.52 |
| ▸ | ACE | P12821 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 4/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.45 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | CCKAR | P32238 | 1/20 | 0.42 |
| ▸ | CCKBR | P32239 | 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 | |
|---|---|---|---|---|
| SCHEMBL6234383 | 0.86 | ITGA4 (0.48) | KLK5ACECTSSCTSKCTSL | |
| SCHEMBL6234720 | 0.81 | ITGA4 (0.56) | ITGA4ITGB7 | |
| SCHEMBL6236295 | 0.81 | ADRA1D (0.42) | ITGA4 | |
| SCHEMBL27522588 | 0.81 | ADRA1D (0.42) | ITGA4 | |
| Hydrochloric Acid SCHEMBL27522580 | 0.81 | ADRA1D (0.42) | ITGA4 | |
| SCHEMBL6237836 | 0.80 | ITGA4 (0.52) | ITGA4ITGB7CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27503933 | 0.80 | ITGA4 (0.52) | ITGA4ITGB7CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10033679 | 0.80 | CTSS (0.69) | KLK5ACECTSSCTSKCTSL | |
| SCHEMBL1826757 | 0.80 | CTSS (0.69) | KLK5ACECTSSCTSKCTSL | |
| SCHEMBL2802961 | 0.80 | CTSS (0.69) | KLK5ACECTSSCTSKCTSL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6916933-B2 | 4-pyridinyl-n-acyl-l-phenylalanines | HOFFMAN-LA ROCHE INC. (US) | 2005-07-12 | — | — | US | disclosed |
| EP-1244625-B1 | 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES | HOFFMANN LA ROCHE (CH) | 2005-06-15 | — | — | EP | disclosed |
| US-20040127706-A1 | 4-Pyridinyl-n-acyl-l-phenylalanines | KAPLAN GERALD LEWIS (US) | 2004-07-01 | — | — | US | disclosed |
| US-20020133015-A1 | 4-pyridinyl-N-acyl-L-phenylalanines | KAPLAN GERALD LEWIS (US) | 2002-09-19 | — | — | 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 (2 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-20040127706-A1 | 4-Pyridinyl-n-acyl-l-phenylalanines | VCAM1, ICAM1, SELPLG | KLK5 2313/4885ACE 886/4885CTSS 2382/4885 |
| US-20020133015-A1 | 4-pyridinyl-N-acyl-L-phenylalanines | VCAM1, ICAM1, SELPLG | KLK5 2313/4885ACE 886/4885CTSS 2382/4885 |
“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.