Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.54 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | SMG1 | Q96Q15 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28764588 | 0.82 | HRH4 (0.51) | LRRK2CYP2C19KDM4EALDH1A1HSD17B10 | |
| SCHEMBL17310231 | 0.80 | LRRK2 (0.62) | PIK3CAMAPK13LRRK2CYP2C19PIK3CD | |
| SCHEMBL17426480 | 0.79 | PIK3CA (0.54) | PIK3CAMAPK13LRRK2CYP2C19KMO | |
| SCHEMBL15145216 | 0.78 | PIK3CA (0.63) | PIK3CAMAPK13LRRK2CYP2C19KMO | |
| SCHEMBL29760133 | 0.77 | PIK3CA (0.57) | PIK3CAMAPK13LRRK2CYP2C19KMO | |
| SCHEMBL875670 | 0.77 | PIK3CA (0.57) | PIK3CAMAPK13LRRK2CYP2C19KMO | |
| SCHEMBL247930 | 0.76 | PIK3CA (0.64) | PIK3CAMAPK13LRRK2CYP2C19KMO | |
| SCHEMBL171298 | 0.75 | MAPK13 (0.55) | PIK3CAMAPK13LRRK2CYP2C19PIK3CD | |
| SCHEMBL13412132 | 0.74 | PIK3CA (0.58) | PIK3CALRRK2CYP2C19KMOPIK3CD | |
| SCHEMBL27756289 | 0.74 | KMO (0.53) | PIK3CACYP2C19KMOPIK3CDHTT |
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-113767100-A | Bicyclic heteroaryl compounds and uses thereof | 锐新医药公司 | 2021-12-07 | — | — | CN | disclosed |