Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.32 |
| ▸ | CDK9 | P50750 | 3/20 | 0.32 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | CLK3 | P49761 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 3/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL23779120 | 0.99 | HRH4 (0.36) | HRH4EGLN2TRPC5PDCD1CD274 | |
| Trifluoroacetic Acid SCHEMBL23779044 | 0.90 | RAF1 (0.36) | HRH4TRPC5PDE3BPDE3ADYRK1A | |
| SCHEMBL24321157 | 0.75 | PIP5K1C (0.45) | CDK9CLK2CLK3DYRK1A | |
| Hydrochloric Acid SCHEMBL23779106 | 0.74 | PIP5K1C (0.44) | CDK9CLK2CLK3DYRK1A | |
| SCHEMBL23779045 | 0.70 | NR1H2 (0.38) | — | |
| SCHEMBL31739615 | 0.69 | PDCD1 (0.34) | PDCD1CD274 | |
| SCHEMBL20053916 | 0.69 | PDCD1 (0.44) | PDCD1CD274 | |
| SCHEMBL21017741 | 0.66 | PDCD1 (0.41) | PDCD1CD274 | |
| SCHEMBL21138657 | 0.65 | IRAK1 (0.42) | EGLN2TRPC5CCNT1IRAK1PIK3C2B | |
| Hydrochloric Acid SCHEMBL23779049 | 0.65 | PIM1 (0.35) | HRH4PDCD1CD274CCNT1PIM1 |
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-112996791-A | 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazindole-2-carboxamide active agents against hepatitis b virus HBV | 艾库里斯有限及两合公司 | 2021-06-18 | — | — | CN | disclosed |