Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL31050068 | 1.00 | KDM4E (0.37) | KDM4EPOLBALDH1A1TDP1ALOX15 | |
| SCHEMBL25394973 | 0.86 | THRB (0.32) | KDM4EALDH1A1TDP1THRBMAPK1 | |
| SCHEMBL25395095 | 0.79 | CCNE1 (0.33) | KDM4EPOLBALDH1A1TDP1THRB | |
| SCHEMBL31050030 | 0.79 | ALDH1A1 (0.35) | ALDH1A1THRBHTTKMT2A | |
| SCHEMBL23070919 | 0.69 | CYP3A4 (0.46) | ALDH1A1TDP1THRBMAPK1 | |
| SCHEMBL24997644 | 0.69 | ERAP2 (0.33) | KDM4EPOLBALDH1A1TDP1MAPT | |
| SCHEMBL25395033 | 0.67 | ALDH1A1 (0.43) | ALDH1A1TDP1THRBMAPK1HTT | |
| SCHEMBL19274477 | 0.67 | CYP3A4 (0.34) | ALDH1A1TDP1THRBMAPTMAPK1 | |
| SCHEMBL21383708 | 0.66 | CYP3A4 (0.49) | KDM4EPOLBALDH1A1TDP1THRB | |
| SCHEMBL25395109 | 0.66 | CYP3A4 (0.41) | ALDH1A1TDP1THRBMAPK1 |
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 |