Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 6/20 | 0.73 |
| ▸ | GSK3B | P49841 | 5/20 | 0.73 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | PRKACA | P17612 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 4/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL14364639 | 0.92 | RPS6KB1 (0.75) | RPS6KB1GSK3BROCK1KDM4EPRKACA | |
| SCHEMBL14364632 | 0.91 | RPS6KB1 (0.73) | RPS6KB1GSK3BROCK1KDM4EPRKACA | |
| SCHEMBL1899584 | 0.85 | RPS6KB1 (0.81) | RPS6KB1GSK3BROCK1KDM4EPRKACA | |
| SCHEMBL1900429 | 0.85 | RPS6KB1 (1.00) | RPS6KB1GSK3BROCK1KDM4EPRKACA | |
| SCHEMBL6402367 | 0.83 | RPS6KB1 (0.77) | RPS6KB1GSK3BROCK1KDM4EPRKACA | |
| SCHEMBL6402292 | 0.81 | RPS6KB1 (0.77) | RPS6KB1GSK3BROCK1KDM4EPRKACA | |
| SCHEMBL6406792 | 0.81 | RPS6KB1 (0.77) | RPS6KB1GSK3BROCK1KDM4EPRKACA | |
| SCHEMBL14364656 | 0.80 | RPS6KB1 (0.76) | RPS6KB1GSK3BROCK1KDM4EPRKACA | |
| SCHEMBL6400111 | 0.79 | RPS6KB1 (0.73) | RPS6KB1GSK3BROCK1KDM4EPRKACA | |
| SCHEMBL9694043 | 0.78 | HSD17B10 (0.52) | KDM4ETP53ALDH1A1LMNAMAPT |
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-2322521-B1 | Heteroaryl compounds useful as inhibitors of GSK-3 | VERTEX PHARMA (US) | 2013-09-04 | — | — | EP | claimed |
| EP-2322521-B1 | Heteroaryl compounds useful as inhibitors of GSK-3 | VERTEX PHARMA (US) | 2013-09-04 | — | — | EP | disclosed |