Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | QDPR | P09417 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.41 |
| ▸ | CBFB | Q13951 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5536929 | 0.82 | SLC6A4 (0.61) | SLC6A4DRD2KMT2AALDH1A1QDPR | |
| SCHEMBL28517116 | 0.81 | SLC6A4 (0.55) | SLC6A4DRD2DRD1 | |
| SCHEMBL23551386 | 0.81 | SLC6A4 (0.49) | SLC6A4QDPRALOX15 | |
| SCHEMBL30863499 | 0.79 | SLC6A4 (0.43) | SLC6A4QDPR | |
| SCHEMBL27195917 | 0.79 | SLC6A4 (0.43) | SLC6A4QDPR | |
| Hydrochloric Acid SCHEMBL31556090 | 0.76 | QDPR (0.62) | SLC6A4KMT2AALDH1A1QDPR | |
| SCHEMBL5546728 | 0.75 | QDPR (0.64) | SLC6A4KMT2AALDH1A1QDPR | |
| SCHEMBL31733726 | 0.74 | SLC6A4 (0.55) | SLC6A4DRD2KMT2AALDH1A1QDPR | |
| SCHEMBL31733367 | 0.74 | SLC6A4 (0.55) | SLC6A4DRD2KMT2AALDH1A1QDPR | |
| SCHEMBL7704740 | 0.73 | SLC6A4 (1.00) | SLC6A4DRD2 |
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 |