Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.52 |
| ▸ | USP2 | O75604 | 7/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.52 |
| ▸ | LMNA | P02545 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.44 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29947111 | 1.00 | ADORA1 (0.59) | ADORA1ADORA2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL29947045 | 0.91 | ADORA1 (0.48) | ADORA1ADORA2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL21621248 | 0.91 | ADORA1 (0.48) | ADORA1ADORA2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL21621271 | 0.85 | PRKAB2 (0.62) | ADORA1ADORA2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL29947031 | 0.85 | PRKAB2 (0.62) | ADORA1ADORA2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL29947079 | 0.85 | TRIM58 (0.44) | ADORA1ADORA2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL21621245 | 0.85 | TRIM58 (0.44) | ADORA1ADORA2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL29947161 | 0.84 | PRKAB2 (0.62) | ADORA1ADORA2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL21621281 | 0.84 | PRKAB2 (0.62) | ADORA1ADORA2AADORA2BCYP1A2CYP3A4 | |
| SCHEMBL21621265 | 0.83 | MAP4K4 (0.46) | ADORA1ADORA2AADORA2BLMNAMAP4K4 |
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 |