Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347861 | 0.82 | GSK3B (0.45) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E | |
| SCHEMBL13041535 | 0.82 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E | |
| SCHEMBL8255637 | 0.82 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E | |
| SCHEMBL3145218 | 0.81 | PPIB (0.46) | ALDH1A1TSHRMAPTKDM4EL3MBTL1 | |
| SCHEMBL4492346 | 0.81 | HIF1A (0.39) | LMNA | |
| SCHEMBL7502077 | 0.81 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E | |
| SCHEMBL1819075 | 0.80 | KMT2A (0.54) | ALDH1A1KDM4E | |
| SCHEMBL21979072 | 0.79 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E | |
| SCHEMBL25638233 | 0.79 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E | |
| SCHEMBL10258229 | 0.79 | TP53 (0.43) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E |
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-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |