Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYK2 | P29597 | 5/20 | 0.65 |
| ▸ | JAK1 | P23458 | 4/20 | 0.65 |
| ▸ | JAK2 | O60674 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.64 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.64 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.54 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.53 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9352624 | 0.87 | NPC1 (0.50) | TYK2JAK1JAK2CYP3A4TAS1R3 | |
| SCHEMBL4154853 | 0.83 | TYK2 (0.71) | TYK2JAK1JAK2CYP3A4TAS1R3 | |
| SCHEMBL13058075 | 0.83 | TYK2 (0.61) | TYK2JAK1JAK2CYP3A4TAS1R3 | |
| SCHEMBL8258392 | 0.83 | RAB9A (0.56) | TYK2JAK1JAK2CYP3A4KMT2A | |
| SCHEMBL95630 | 0.82 | TYK2 (0.65) | TYK2JAK1JAK2CYP3A4TAS1R3 | |
| SCHEMBL14532180 | 0.82 | TYK2 (0.65) | TYK2JAK1JAK2CYP3A4TAS1R3 | |
| SCHEMBL678659 | 0.82 | KMT2A (0.67) | TYK2JAK1JAK2CYP3A4TAS1R3 | |
| SCHEMBL8055108 | 0.81 | SMO (0.71) | TYK2JAK2KMT2ARAB9ANPC1 | |
| SCHEMBL7183238 | 0.80 | RAB9A (0.67) | KMT2ARAB9ANPC1MAPTGAA | |
| SCHEMBL20413311 | 0.80 | NPC1 (0.67) | CYP3A4KMT2ARAB9ANPC1MAPT |
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 |