Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 18/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6933917 | 0.96 | ITGA4 (0.41) | ITGA4ITGB1ACE | |
| SCHEMBL6934152 | 0.87 | ITGA4 (0.41) | ITGA4ITGB1 | |
| Hydrochloric Acid SCHEMBL6935551 | 0.87 | ITGA4 (0.41) | ITGA4ITGB1 | |
| SCHEMBL6933976 | 0.85 | ITGA4 (0.46) | ITGA4ITGB1 | |
| Hydrochloric Acid SCHEMBL6934869 | 0.85 | ITGB3 (0.42) | ITGA4ITGB1 | |
| SCHEMBL6934284 | 0.78 | ITGA4 (0.38) | ITGA4ITGB1 | |
| SCHEMBL7703583 | 0.77 | AGTR2 (0.40) | ITGA4ITGB1 | |
| SCHEMBL6935894 | 0.77 | YAP1 (0.48) | ACE | |
| SCHEMBL6933289 | 0.76 | PTPN1 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6933788 | 0.75 | AGTR2 (0.39) | ITGA4ITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0984981-B1 | ANTI-INFLAMMATORY TYROSINE DERIVATIVES | CELLTECH THERAPEUTICS LTD (GB) | 2003-12-17 | — | — | EP | disclosed |
| US-6093696-A | N-ACETYL-D-THIOPROLINE-(O-2,6-DICHLOROBENZYL)-L-TYROSINE, FOR EXAMPLE; SELECTIVELY INHIBIT THE ALPHA 4 SUBGROUP OF INTEGRINS FROM BINDING TO THEIR LIGANDS; USE IN PROPHYLAXIS OR TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES | CELLTECH THERAPEUTICS, LIMITED (GB) | 2000-07-25 | — | — | US | disclosed |