Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | 0.84 | HDAC3 (0.51) | HDAC3HDAC1HDAC2HDAC6NTRK1 | |
| SCHEMBL4394654 | 0.84 | APP (0.49) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL4392092 | 0.82 | RPS6KB1 (0.43) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL4387694 | 0.82 | DYRK1A (0.41) | HDAC3HDAC1HDAC2HDAC6PRKCQ | |
| SCHEMBL10996739 | 0.79 | VNN1 (0.51) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL3186194 | 0.79 | VNN1 (0.46) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL4387931 | 0.78 | PRKCQ (0.67) | PRKCQALDH1A1MAP4K4PKM | |
| SCHEMBL4385162 | 0.76 | NTRK1 (0.49) | PRKCQAPPNTRK1 | |
| SCHEMBL21436684 | 0.70 | APP (0.49) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL9681910 | 0.70 | APP (0.47) | VNN1HDAC3HDAC1HDAC2HDAC6 |
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 |