Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.57 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.57 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL5873451 | 0.86 | ITGB1 (0.55) | ITGB1ITGA4ITGB7SMN1; SMN2MAPT | |
| SCHEMBL7420912 | 0.79 | ITGB1 (0.68) | ITGB1ITGA4ITGB7SMN1; SMN2MAPT | |
| SCHEMBL7420913 | 0.79 | ITGB1 (0.68) | ITGB1ITGA4ITGB7SMN1; SMN2MAPT | |
| SCHEMBL14338225 | 0.78 | SMN1; SMN2 (0.60) | SMN1; SMN2MAPTNPC1RAB9ATP53 | |
| SCHEMBL6614228 | 0.76 | HPSE (0.55) | ITGB1ITGA4ITGB7KDM4E | |
| SCHEMBL444748 | 0.76 | HDAC6 (0.55) | ITGB1ITGA4ITGB7SMN1; SMN2MAPT | |
| SCHEMBL26686764 | 0.75 | NPC1 (0.64) | SMN1; SMN2MAPTNPC1RAB9ATP53 | |
| SCHEMBL5638541 | 0.75 | MAPT (0.54) | SMN1; SMN2MAPTNPC1RAB9ATP53 | |
| SCHEMBL9508846 | 0.75 | NPC1 (0.51) | SMN1; SMN2MAPTNPC1RAB9ATP53 | |
| SCHEMBL12704798 | 0.74 | SMN1; SMN2 (0.45) | ITGB1ITGA4ITGB7SMN1; SMN2MAPT |
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 |