Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 6/20 | 0.33 |
| ▸ | CDK2 | P24941 | 6/20 | 0.33 |
| ▸ | THRB | P10828 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23070919 | 0.90 | CYP3A4 (0.46) | CCNE1CDK2THRBCYP3A4TSHR | |
| SCHEMBL25394973 | 0.81 | THRB (0.32) | THRBCYP3A4TSHRATMTDP1 | |
| SCHEMBL31050068 | 0.79 | KDM4E (0.37) | THRBTDP1ALDH1A1MAPK1MAPT | |
| SCHEMBL25393768 | 0.79 | KDM4E (0.37) | THRBTDP1ALDH1A1MAPK1MAPT | |
| SCHEMBL29069633 | 0.79 | GSTP1 (0.41) | TDP1ALDH1A1MAPK1MAPTPOLB | |
| SCHEMBL30424105 | 0.79 | GSTP1 (0.41) | TDP1ALDH1A1MAPK1MAPTPOLB | |
| SCHEMBL25395109 | 0.73 | CYP3A4 (0.41) | CCNE1CDK2THRBCYP3A4TSHR | |
| SCHEMBL24997644 | 0.72 | ERAP2 (0.33) | CYP3A4TSHRATMTDP1PDE1A | |
| SCHEMBL31260449 | 0.72 | CYP3A4 (0.45) | CCNE1CDK2CYP3A4TSHRATM | |
| SCHEMBL23083825 | 0.71 | CYP3A4 (0.44) | THRBCYP3A4TSHRATMTDP1 |
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-2023169170-A1 | HETEROCYCLIC COMPOUND AS SHP2 INHIBITOR, COMPOSITION COMPRISING HETEROCYCLIC COMPOUND, AND METHOD USING SAME | 捷思英达控股有限公司 | 2023-09-14 | — | — | WO | disclosed |