Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3719673 | 0.81 | HTT (0.38) | HTTCYP11B1CYP11B2ALDH1A1SMN1; SMN2 | |
| SCHEMBL9262464 | 0.75 | ALDH1A1 (0.39) | HTTALDH1A1SMN1; SMN2 | |
| SCHEMBL5147277 | 0.75 | CYP11B1 (0.45) | CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL3713058 | 0.69 | CYP11B1 (0.40) | HTTCYP11B1CYP11B2ALDH1A1SMN1; SMN2 | |
| SCHEMBL17688056 | 0.67 | HSD17B1 (0.50) | — | |
| SCHEMBL22528221 | 0.67 | KDM1A (0.41) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL27614692 | 0.67 | SLC6A4 (0.42) | — | |
| SCHEMBL6600332 | 0.67 | PRKCI (0.47) | — | |
| SCHEMBL2539496 | 0.67 | GRM5 (0.36) | HTT | |
| SCHEMBL2281435 | 0.66 | ALDH1A1 (0.42) | HTTALDH1A1SMN1; SMN2 |
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-1850843-A2 | INHIBITORS OF AKT ACTIVITY | Merck & Co., Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006091395-A2 | INHIBITORS OF AKT ACTIVITY | MERCK & CO., INC. (US) | 2006-08-31 | — | — | WO | disclosed |