Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRN | P28799 | 1/20 | 0.43 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL19084456 | 0.87 | SMN1; SMN2 (0.42) | ALDH1A1EPHX1ACHETSHRHPGD | |
| SCHEMBL7404539 | 0.86 | ACHE (0.46) | ALDH1A1EPHX1ACHE | |
| SCHEMBL17099347 | 0.84 | ACHE (0.41) | ALDH1A1EPHX1ACHEITGB3ITGA2B | |
| SCHEMBL9103059 | 0.83 | EPHX1 (0.41) | ALDH1A1EPHX1ACHEITGB3ITGA2B | |
| SCHEMBL8591688 | 0.83 | ECE1 (0.43) | EPHX1ACHEITGB3ITGA2B | |
| SCHEMBL9565515 | 0.83 | ECE1 (0.43) | EPHX1ACHEITGB3ITGA2B | |
| SCHEMBL8872226 | 0.83 | ECE1 (0.43) | EPHX1ACHEITGB3ITGA2B | |
| SCHEMBL7449016 | 0.83 | EPHX1 (0.43) | ALDH1A1EPHX1CTSKACHETSHR | |
| SCHEMBL480292 | 0.82 | EPHX1 (0.46) | ALDH1A1EPHX1CTSKACHEITGB3 | |
| SCHEMBL284168 | 0.82 | EPHX1 (0.46) | ALDH1A1EPHX1CTSKACHEITGB3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6617426-B1 | Peptide analogs of given formula; useful in treating neurodegenerative, autoimmune, cognitive disorders, stroke and traumatic injury | MERCK SHARP & DOHME CORP. | 2003-09-09 | — | — | US | disclosed |
| EP-1194443-A1 | CYSTEINYL PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000078794-A1 | CYSTEINYL PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2000-12-28 | — | — | WO | disclosed |