Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 6/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 6/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 6/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 6/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.33 |
| ▸ | CFD | P00746 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10896805 | 0.84 | KCNN4 (0.37) | PDK1PDK2PDK3PDK4PGR | |
| SCHEMBL8225791 | 0.83 | CA2 (0.44) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL2447455 | 0.81 | PDK1 (0.35) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL12373152 | 0.81 | P2RX7 (0.35) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL16579358 | 0.79 | KCNN4 (0.39) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL11837116 | 0.79 | P2RX7 (0.38) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL20079605 | 0.79 | CFD (0.33) | PDK1PDK2PDK3PDK4CA2 | |
| SCHEMBL11792315 | 0.78 | TSHR (0.44) | PDK1PDK2PDK3PDK4PGR | |
| SCHEMBL10748080 | 0.78 | TSHR (0.39) | NOTUMCFDGAATDP1 | |
| SCHEMBL30530487 | 0.78 | KCNN4 (0.45) | PDK1PDK2PDK3PDK4PGR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022266427-A1 | 4-(ARYL-METHYL-AMINO)-QUINAZOLINE DERIVATIVES AND USES THEREOF | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2022-12-22 | — | — | WO | disclosed |