Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21621298 | 0.97 | ALDH1A1 (0.49) | GSK3BMAPK14ADORA2AADORA1ADORA2B | |
| SCHEMBL21621291 | 0.87 | ADORA2A (0.45) | GSK3BMAPK14ADORA2AADORA1ADORA2B | |
| SCHEMBL29947105 | 0.87 | ADORA2A (0.45) | GSK3BMAPK14ADORA2AADORA1ADORA2B | |
| SCHEMBL29947118 | 0.87 | ADORA2B (0.46) | GSK3BMAPK14ADORA2AADORA1ADORA2B | |
| SCHEMBL21621278 | 0.87 | ADORA2B (0.46) | GSK3BMAPK14ADORA2AADORA1ADORA2B | |
| SCHEMBL21621174 | 0.86 | ADORA1 (0.46) | GSK3BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL21621279 | 0.85 | ADORA2A (0.44) | GSK3BMAPK14ADORA2AADORA1ADORA2B | |
| SCHEMBL29947110 | 0.85 | ADORA2A (0.44) | GSK3BMAPK14ADORA2AADORA1ADORA2B | |
| SCHEMBL21621169 | 0.82 | GSK3B (0.37) | GSK3BMAPK14ADORA2AADORA1ADORA2B | |
| SCHEMBL21621300 | 0.82 | LMNA (0.43) | CYP1A2CYP3A4CYP2D6KDM4EMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111094254-B | Heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-111094254-A | Heteroaryl derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-05-01 | — | — | CN | disclosed |
| WO-2020011220-A1 | HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-01-16 | — | — | WO | disclosed |