Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 2/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28906215 | 1.00 | HSD11B1 (0.43) | HSD11B1CA1CA2CA9P4HB | |
| SCHEMBL28499994 | 1.00 | HSD11B1 (0.43) | HSD11B1CA1CA2CA9P4HB | |
| SCHEMBL28511552 | 0.94 | P4HB (0.42) | CA1CA2CA9P4HBNPC1 | |
| SCHEMBL16625305 | 0.84 | MCHR1 (0.43) | ALDH1A1PDK2JAK2JAK1USP30 | |
| SCHEMBL16625313 | 0.81 | HRH3 (0.47) | NPC1RAB9AALDH1A1ALOX15PDK2 | |
| SCHEMBL16625306 | 0.81 | MCHR1 (0.42) | CA1CA2CA9P4HBALDH1A1 | |
| SCHEMBL16625307 | 0.80 | MCHR1 (0.52) | USP30 | |
| SCHEMBL28504623 | 0.79 | HSD11B1 (0.48) | HSD11B1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28504621 | 0.79 | HSD11B1 (0.48) | HSD11B1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28513974 | 0.79 | HSD11B1 (0.48) | HSD11B1NPC1RAB9AMEN1KMT2A |
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 |