Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 1.00 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.70 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.61 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12281655 | 0.83 | ADORA2A (0.92) | ADORA2ANUDT1SCN9AADORA1MAPT | |
| SCHEMBL421987 | 0.83 | ADORA2A (1.00) | ADORA2ANUDT1SCN9AALDH1A1CYP1A2 | |
| SCHEMBL28872938 | 0.83 | ADORA2A (0.70) | ADORA2ALMNAKDM4EALDH1A1NPSR1 | |
| SCHEMBL15561039 | 0.82 | LMNA (0.72) | ADORA2ALMNAKDM4EALDH1A1NPSR1 | |
| Hydrochloric Acid SCHEMBL27344186 | 0.81 | ADORA2A (0.96) | ADORA2ANUDT1SCN9AALDH1A1CYP1A2 | |
| SCHEMBL28147437 | 0.81 | ADORA2A (0.68) | ADORA2ALMNAKDM4EALDH1A1NPSR1 | |
| SCHEMBL1289729 | 0.81 | SCN9A (1.00) | ADORA2ANUDT1SCN9A | |
| SCHEMBL6768236 | 0.78 | ADORA2A (0.63) | ADORA2ANUDT1SCN9AKDM4EALDH1A1 | |
| SCHEMBL6695603 | 0.77 | RAD52 (0.74) | ADORA2ASCN9ALMNAKDM4EALDH1A1 | |
| SCHEMBL4108639 | 0.77 | ADORA2A (0.63) | ADORA2ANUDT1LMNAKDM4EALDH1A1 |
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-113999180-A | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2022-02-01 | — | — | CN | disclosed |