Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 5/20 | 0.55 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.55 |
| ▸ | KDR | P35968 | 14/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 6/20 | 0.43 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7168585 | 0.94 | ITGB1 (0.47) | ITGB1ITGA4KDRHDAC3HDAC4 | |
| SCHEMBL7105290 | 0.91 | ITGB1 (0.58) | ITGB1ITGA4KDREGFR | |
| SCHEMBL7099921 | 0.87 | ITGB1 (0.56) | ITGB1ITGA4KDREGFRERBB4 | |
| SCHEMBL7104070 | 0.83 | ITGB1 (0.62) | ITGB1ITGA4KDR | |
| SCHEMBL7105543 | 0.80 | ITGB1 (0.59) | ITGB1ITGA4EGFR | |
| SCHEMBL7259400 | 0.77 | KDR (0.44) | KDREGFRERBB4 | |
| SCHEMBL7099956 | 0.76 | ITGB1 (0.57) | ITGB1ITGA4HDAC3HDAC4HDAC1 | |
| SCHEMBL7099954 | 0.76 | KDR (0.54) | KDREGFR | |
| SCHEMBL7103663 | 0.76 | KDR (0.54) | KDREGFR | |
| SCHEMBL7105967 | 0.75 | ITGB1 (0.54) | ITGB1ITGA4EGFR |
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-20030162799-A1 | Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents | CELLTECH R&D LIMITED (GB) | 2003-08-28 | — | — | US | disclosed |
| US-6518283-B1 | To modify integrin function in such a way as to beneficially modulate cell adhesion | CELLTECH R&D LIMITED (GB) | 2003-02-11 | — | — | 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-20030162799-A1 | Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents | ICAM1, VCAM1, CCR1 | ITGB1 5/4885ITGA4 28/4885KDR 285/4885 |
“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.