Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCND2 | P30279 | 1/20 | 0.42 |
| ▸ | CCND3 | P30281 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1633930 | 0.92 | HRH3 (0.43) | SCN9AHRH3CDK4CCND1MAP4K1 | |
| SCHEMBL1632568 | 0.90 | HRH3 (0.43) | HRH3CDK4CCND1MAP4K1 | |
| SCHEMBL1632964 | 0.89 | USP2 (0.49) | ALDH1A1 | |
| SCHEMBL12724921 | 0.89 | SYK (0.44) | SCN9AHRH3CDK4CCND1 | |
| SCHEMBL1633193 | 0.88 | EGFR (0.46) | SCN9AMAP4K1ALDH1A1 | |
| SCHEMBL1633769 | 0.86 | HRH3 (0.43) | SCN9AHRH3CDK4CCND1MAP4K1 | |
| SCHEMBL1634487 | 0.86 | HRH3 (0.43) | SCN9AHRH3CDK4CCND1MAP4K1 | |
| SCHEMBL1634293 | 0.85 | MAP4K1 (0.48) | MAP4K1 | |
| SCHEMBL12724944 | 0.84 | MARK3 (0.46) | HRH3CDK4CCND1CCND3 | |
| SCHEMBL1633360 | 0.84 | RIPK2 (0.49) | HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |