Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 6/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29947036 | 1.00 | CLK4 (0.41) | CLK4LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29947063 | 0.87 | ADORA2A (0.53) | CLK4LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21621289 | 0.87 | ADORA2A (0.53) | CLK4LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21621271 | 0.81 | PRKAB2 (0.62) | CLK4LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29947031 | 0.81 | PRKAB2 (0.62) | CLK4LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21621293 | 0.79 | PRKAB2 (0.44) | CLK4LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29947141 | 0.79 | PRKAB2 (0.44) | CLK4LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21621278 | 0.77 | ADORA2B (0.46) | LMNACYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL21621168 | 0.77 | PRKAB2 (0.39) | CLK4LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29947030 | 0.77 | PRKAB2 (0.39) | CLK4LMNACYP1A2CYP3A4CYP2D6 |
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 |