Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 7/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 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 | |
|---|---|---|---|---|
| SCHEMBL6931687 | 0.91 | S1PR1 (0.43) | AGTR2CDC25BCD274PDCD1S1PR1 | |
| SCHEMBL7703583 | 0.89 | AGTR2 (0.40) | AGTR2CDC25BS1PR1S1PR5ITGA4 | |
| SCHEMBL6933976 | 0.89 | ITGA4 (0.46) | ITGA4ITGB1 | |
| SCHEMBL6934284 | 0.83 | ITGA4 (0.38) | S1PR1S1PR5ITGA4ITGB1 | |
| SCHEMBL7896702 | 0.80 | TPH1 (0.37) | AGTR2S1PR5ITGA4ITGB1 | |
| SCHEMBL7906141 | 0.80 | CYP3A4 (0.39) | AGTR2S1PR1ITGA4 | |
| SCHEMBL7709540 | 0.79 | NOS3 (0.43) | AGTR2ITGA4ITGB1 | |
| SCHEMBL6934152 | 0.79 | ITGA4 (0.41) | ITGA4ITGB1 | |
| Hydrochloric Acid SCHEMBL6935551 | 0.79 | ITGA4 (0.41) | ITGA4ITGB1 | |
| SCHEMBL7905211 | 0.79 | ITGB1 (0.43) | AGTR2ITGA4ITGB1 |
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 |