Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 2/20 | 0.56 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.54 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.42 |
| ▸ | SMO | Q99835 | 2/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | TACR3 | P29371 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 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 | |
|---|---|---|---|---|
| SCHEMBL27873413 | 1.00 | CDK9 (0.56) | CDK9LRRK2EIF2AK4KDM4EALDH1A1 | |
| SCHEMBL27856595 | 0.81 | CDK9 (0.52) | CDK9EIF2AK4ZAP70SMOITGB2 | |
| SCHEMBL27873347 | 0.81 | CDK9 (0.52) | CDK9EIF2AK4ZAP70SMOITGB2 | |
| SCHEMBL31060973 | 0.80 | CDK9 (0.50) | CDK9LRRK2SMO | |
| SCHEMBL20853728 | 0.78 | CDK9 (0.53) | CDK9EIF2AK4JAK2JAK3 | |
| SCHEMBL20853713 | 0.78 | CDK9 (0.55) | CDK9 | |
| SCHEMBL16112931 | 0.74 | CDK9 (0.61) | CDK9 | |
| SCHEMBL16112193 | 0.74 | CDK9 (0.63) | CDK9 | |
| SCHEMBL2260860 | 0.72 | CYP3A4 (0.61) | LRRK2ALDH1A1TSHR | |
| SCHEMBL1940053 | 0.72 | CYP3A4 (0.61) | LRRK2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-102498107-A | Heteroaryl compounds as kinase inhibitors | NOVARTIS AG | 2012-06-13 | — | — | CN | disclosed |