Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.51 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.51 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3104444 | 0.76 | CHRM2 (0.43) | LMNAGAAMAPTCYP2C9CYP2C19 | |
| SCHEMBL4829823 | 0.74 | AKR1C1 (0.48) | ITGB1ITGA4ITGB7LMNAALDH1A1 | |
| SCHEMBL20581835 | 0.70 | RAB9A (0.43) | LMNAGAAMAPTALDH1A1KDM4E | |
| SCHEMBL10848298 | 0.69 | AKR1C1 (0.52) | ITGB1ITGA4ITGB7LMNAALDH1A1 | |
| SCHEMBL13342378 | 0.69 | ALDH1A1 (0.49) | ITGB1ITGA4ITGB7LMNAMAPT | |
| SCHEMBL25172246 | 0.67 | CHRM2 (0.47) | LMNAGAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL24780850 | 0.66 | ITGB1 (0.44) | ITGB1ITGA4ITGB7LMNAMAPT | |
| SCHEMBL25473611 | 0.66 | ITGB1 (0.44) | ITGB1ITGA4ITGB7LMNAMAPT | |
| SCHEMBL25171918 | 0.66 | DPP4 (0.45) | LMNAGAACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL12561523 | 0.66 | RAB9A (0.42) | ITGB1ITGA4ITGB7MAPTALDH1A1 |
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 |