Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 9/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 3/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28663932 | 1.00 | MAPT (0.52) | MAPTALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL28639428 | 0.84 | NTRK1 (0.45) | ALDH1A1NTRK1JAK2NTRK3CCNT1 | |
| SCHEMBL28639429 | 0.84 | NTRK1 (0.45) | ALDH1A1NTRK1JAK2NTRK3CCNT1 | |
| SCHEMBL19547181 | 0.76 | NTRK1 (0.49) | NTRK1JAK2 | |
| SCHEMBL29746839 | 0.76 | NTRK1 (0.47) | NTRK1JAK2PIK3CGNTRK3 | |
| SCHEMBL10241011 | 0.75 | CCNT1 (0.52) | CCNT1CDK9 | |
| SCHEMBL23000159 | 0.74 | NTRK1 (0.48) | NTRK1JAK2PIK3CGNTRK3 | |
| SCHEMBL21494188 | 0.74 | NTRK1 (0.48) | NTRK1JAK2PIK3CGNTRK3 | |
| SCHEMBL21514008 | 0.74 | NTRK1 (0.48) | NTRK1JAK2PIK3CGNTRK3 | |
| SCHEMBL21494234 | 0.74 | NTRK1 (0.48) | NTRK1JAK2PIK3CGNTRK3 |
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-110386945-B | Macrocyclic kinase inhibitor | 广州白云山医药集团股份有限公司白云山制药总厂 | 2021-09-28 | — | — | CN | disclosed |