Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7870841 | 1.00 | GBA1 (0.40) | GBA1ITGB3ITGA2BPTGS2ITGAV | |
| SCHEMBL7870863 | 0.83 | ACHE (0.50) | — | |
| SCHEMBL7870854 | 0.83 | ACHE (0.50) | — | |
| SCHEMBL7868325 | 0.77 | GBA1 (0.51) | GBA1ITGB3ITGA2B | |
| SCHEMBL7868320 | 0.77 | GBA1 (0.51) | GBA1ITGB3ITGA2B | |
| SCHEMBL27377143 | 0.74 | GBA1 (0.47) | GBA1ITGB3ITGA2BITGAV | |
| SCHEMBL7679413 | 0.73 | EPHX2 (0.46) | GBA1ITGB3ITGA2BITGAV | |
| SCHEMBL3170439 | 0.73 | GBA1 (0.46) | GBA1ITGB3ITGA2BITGAV | |
| SCHEMBL7492665 | 0.72 | GBA1 (0.56) | GBA1 | |
| SCHEMBL7492670 | 0.72 | GBA1 (0.56) | GBA1 |
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-6303593-B1 | FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-10-16 | — | — | US | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |