Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 4/20 | 0.57 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.57 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | PTPRA | P18433 | 1/20 | 0.44 |
| ▸ | PTPRB | P23467 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7413758 | 1.00 | ITGB1 (0.57) | ITGB1ITGA4ITGB7PKMPTPRA | |
| SCHEMBL7420912 | 0.91 | ITGB1 (0.68) | ITGB1ITGA4ITGB7PKMPTPRA | |
| SCHEMBL7420913 | 0.91 | ITGB1 (0.68) | ITGB1ITGA4ITGB7PKMPTPRA | |
| SCHEMBL5130333 | 0.81 | ITGB1 (0.85) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL5125672 | 0.78 | ITGB1 (0.86) | ITGB1ITGA4ITGB7ITGAV | |
| SCHEMBL3314275 | 0.77 | ITGB1 (0.67) | ITGB1PKMSLC7A5HIF1APTGS1 | |
| SCHEMBL3318103 | 0.77 | ITGB1 (0.67) | ITGB1PKMSLC7A5HIF1APTGS1 | |
| SCHEMBL5127850 | 0.76 | ITGB1 (0.44) | ITGB1ITGA4ITGB7KDM4EALOX15 | |
| SCHEMBL460247 | 0.75 | TTR (0.69) | ITGB1ITGA4ITGB7TTRALB | |
| SCHEMBL23729861 | 0.74 | TTR (0.54) | PKMSLC7A5TTRALBMAOA |
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-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |
| WO-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |