Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TET3 | O43151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.38 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.38 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.38 |
| ▸ | CXXC4 | Q9H2H0 | 1/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PHGDH | O43175 | 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 | |
|---|---|---|---|---|
| SCHEMBL4829823 | 0.84 | AKR1C1 (0.48) | ITGB1ITGA4ITGB7ALDH1A1HDAC4 | |
| SCHEMBL7384751 | 0.83 | ITGB1 (0.43) | ITGB1ITGA4ITGB7ALDH1A1MAPK1 | |
| SCHEMBL7388625 | 0.83 | ITGB1 (0.44) | ITGB1ITGA4ITGB7HSD11B1KMT2A | |
| SCHEMBL11021630 | 0.80 | MAPK1 (0.47) | ALDH1A1HDAC4HSD11B1CCR2MAPK1 | |
| SCHEMBL7379375 | 0.80 | ITGB1 (0.46) | ITGB1ITGA4ITGB7KMT2A | |
| SCHEMBL7388060 | 0.80 | ITGB1 (0.47) | ITGB1ITGA4ITGB7ALDH1A1HSD11B1 | |
| SCHEMBL7378305 | 0.80 | CYP3A4 (0.46) | ITGB1ITGA4ITGB7ALDH1A1TET3 | |
| SCHEMBL10848298 | 0.79 | AKR1C1 (0.52) | ITGB1ITGA4ITGB7ALDH1A1HDAC4 | |
| SCHEMBL11121862 | 0.78 | CCR2 (0.43) | CCR2 | |
| SCHEMBL7386208 | 0.76 | ITGB1 (0.49) | ITGB1ITGA4ITGB7CCR2KMT2A |
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 |