Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.68 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.68 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.68 |
| ▸ | PTPRA | P18433 | 1/20 | 0.54 |
| ▸ | PTPRB | P23467 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL7420913 | 1.00 | ITGB1 (0.68) | ITGB1ITGA4ITGB7PTPRAPTPRB | |
| SCHEMBL7413757 | 0.91 | ITGB1 (0.57) | ITGB1ITGA4ITGB7PTPRAPTPRB | |
| SCHEMBL7413758 | 0.91 | ITGB1 (0.57) | ITGB1ITGA4ITGB7PTPRAPTPRB | |
| SCHEMBL1068034 | 0.83 | PTPRA (0.61) | ITGB1ITGA4ITGB7PTPRAPTPRB | |
| SCHEMBL1068031 | 0.83 | PTPRA (0.61) | ITGB1ITGA4ITGB7PTPRAPTPRB | |
| SCHEMBL7418848 | 0.79 | ITGB1 (0.57) | ITGB1ITGA4ITGB7ALDH1A1TP53 | |
| SCHEMBL16971289 | 0.78 | PTPRA (0.55) | ITGB1ITGA4ITGB7PTPRAPTPRB | |
| SCHEMBL16971288 | 0.78 | PTPRA (0.55) | ITGB1ITGA4ITGB7PTPRAPTPRB | |
| SCHEMBL2307975 | 0.77 | PTPRA (0.58) | PTPRAPTPRBHIF1AALDH1A1CYP1A2 | |
| SCHEMBL5873451 | 0.76 | ITGB1 (0.55) | ITGB1ITGA4ITGB7HIF1AALDH1A1 |
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 |