Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.43 |
| ▸ | VNN1 | O95497 | 4/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | GPR68 | Q15743 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4386385 | 0.89 | HDAC3 (0.51) | NTRK1DYRK1ACLK4HDAC3HDAC1 | |
| SCHEMBL4387694 | 0.89 | DYRK1A (0.41) | RPS6KB1NTRK1DYRK1ACLK4HDAC3 | |
| SCHEMBL4385162 | 0.83 | NTRK1 (0.49) | RPS6KB1PLK4NTRK1 | |
| SCHEMBL4392079 | 0.82 | VNN1 (0.46) | VNN1NTRK1HDAC3HDAC1HDAC2 | |
| SCHEMBL4394654 | 0.81 | APP (0.49) | RPS6KB1VNN1HDAC3HDAC1HDAC2 | |
| SCHEMBL3191032 | 0.81 | VNN1 (0.43) | RPS6KB1VNN1PLK4AURKAHDAC3 | |
| SCHEMBL4384306 | 0.79 | PRKCQ (0.53) | — | |
| SCHEMBL3192454 | 0.71 | HDAC3 (0.41) | NTRK1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL3189750 | 0.71 | HDAC3 (0.51) | NTRK1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL12185810 | 0.70 | LMNA (0.45) | AURKAHDAC1ABL1 |
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-2131844-A1 | PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS | CV Therapeutics Inc. (US) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008123891-A1 | PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS | CV THERAPEUTICS, INC. (US) | 2008-10-16 | — | — | WO | disclosed |