Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 10/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.42 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21621297 | 0.86 | GSK3B (0.47) | ADORA1ADORA2AMAP4K4ADORA3POLB | |
| SCHEMBL21621265 | 0.86 | MAP4K4 (0.46) | ADORA1ADORA2AMAP4K4ADORA3ABL1 | |
| SCHEMBL21621298 | 0.83 | ALDH1A1 (0.49) | ADORA1ADORA2AMAP4K4ADORA3POLB | |
| SCHEMBL29947059 | 0.81 | NUDT1 (0.44) | ADORA1ADORA2AMAP4K4POLBALDH1A1 | |
| SCHEMBL21621282 | 0.81 | NUDT1 (0.44) | ADORA1ADORA2AMAP4K4POLBALDH1A1 | |
| SCHEMBL21621173 | 0.80 | TRIM58 (0.45) | MAP4K4ALDH1A1CYP1A2CLK4 | |
| SCHEMBL29947028 | 0.80 | TRIM58 (0.45) | MAP4K4ALDH1A1CYP1A2CLK4 | |
| SCHEMBL21621290 | 0.77 | MAP4K4 (0.46) | ADORA1ADORA2AMAP4K4ABL1GSK3B | |
| SCHEMBL29947043 | 0.77 | MAP4K4 (0.46) | ADORA1ADORA2AMAP4K4ABL1GSK3B | |
| SCHEMBL22179969 | 0.76 | LMNA (0.43) | MAP4K4POLBABL1CYP1A2CLK4 |
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 |