Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | TNKS | O95271 | 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 | |
|---|---|---|---|---|
| SCHEMBL28513508 | 0.82 | HRH4 (0.33) | HRH4ALDH1A1POLBMAPTHTT | |
| SCHEMBL28507573 | 0.82 | MAP4K1 (0.40) | HRH4ALDH1A1POLBMAPTHTT | |
| SCHEMBL28507701 | 0.82 | MAP4K1 (0.39) | ALDH1A1MAPTSMN1; SMN2MAP4K1ACHE | |
| SCHEMBL28502342 | 0.79 | POLB (0.37) | HRH4ALDH1A1POLBMAPTTNKS | |
| SCHEMBL28517181 | 0.78 | MELK (0.49) | ALDH1A1MAPTHTTSMN1; SMN2MAP4K1 | |
| SCHEMBL20180762 | 0.77 | MAPT (0.39) | HRH4ALDH1A1POLBMAPTHTT | |
| SCHEMBL28504472 | 0.73 | MAPK13 (0.33) | HRH4POLBMAPTTDO2 | |
| SCHEMBL28510220 | 0.72 | KDM4E (0.43) | HRH4ALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL28506495 | 0.70 | DRD2 (0.47) | ALDH1A1POLBMAPTSMN1; SMN2MAP4K1 | |
| SCHEMBL28510206 | 0.70 | WDR5 (0.39) | POLBMAPT |
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 |