Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 6/20 | 0.36 |
| ▸ | BCR | P11274 | 6/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30523358 | 0.88 | ABL1 (0.35) | ABL1BCRNOS1PDE2ACHRM4 | |
| SCHEMBL30523353 | 0.78 | PDE1B (0.35) | NOS1PDE2ACHRM4PDE1B | |
| SCHEMBL29921888 | 0.78 | ABL1 (0.46) | ABL1BCR | |
| SCHEMBL30523344 | 0.74 | ROCK2 (0.38) | NOS1PDE2AEGFRCSF1RMEN1 | |
| SCHEMBL29921458 | 0.74 | ABL1 (0.47) | ABL1BCRCSF1RALDH1A1GAA | |
| SCHEMBL29921607 | 0.71 | ABL1 (0.37) | ABL1BCR | |
| SCHEMBL19280469 | 0.69 | PDE1B (0.42) | NOS1PDE2AMEN1KMT2AALDH1A1 | |
| SCHEMBL30678373 | 0.67 | HDAC1 (0.40) | PDE2ACHRM4EGFRMEN1KMT2A | |
| SCHEMBL30598755 | 0.66 | PTPN1 (0.40) | L3MBTL1ALDH1A1KDM4EPDE1BLMNA | |
| SCHEMBL19701834 | 0.65 | CSF1R (0.41) | NOS1PDE2ACSF1RMEN1KMT2A |
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-116761801-A | Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same | 四川科伦博泰生物医药股份有限公司 | 2023-09-15 | — | — | CN | disclosed |