Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1903283 | 0.89 | CA14 (0.36) | CA1CA2EPHX1TP53CA12 | |
| SCHEMBL5122363 | 0.83 | ITGB3 (0.40) | ITGB3ITGA2BITGAV | |
| SCHEMBL5131032 | 0.83 | ITGB3 (0.40) | ITGB3ITGA2BITGAV | |
| SCHEMBL5122365 | 0.83 | ITGB3 (0.40) | ITGB3ITGA2BITGAV | |
| Hydrochloric Acid SCHEMBL7359264 | 0.81 | ITGB3 (0.35) | CA1CA2ITGB3ITGA2BEPHX1 | |
| Hydrochloric Acid SCHEMBL7399296 | 0.80 | ITGB3 (0.34) | CA1CA2ITGB3ITGA2BEPHX1 | |
| SCHEMBL27511267 | 0.79 | CA14 (0.40) | ITGB3ITGA2BTP53CA14ITGAV | |
| Hydrochloric Acid SCHEMBL7444101 | 0.78 | ENPEP (0.42) | CA1CA2ITGB3ITGA2BEPHX1 | |
| SCHEMBL10891795 | 0.78 | FAAH (0.41) | CA2ITGB3ITGA2B | |
| SCHEMBL9067217 | 0.78 | FAAH (0.41) | CA2ITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1395551-A2 | HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES | Elan Pharmaceuticals, Inc. (US) | 2004-03-10 | — | — | EP | claimed |
| WO-2002098849-A2 | HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES | ELAN PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | claimed |