Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRIM58 | Q8NG06 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | VCP | P55072 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 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 | |
|---|---|---|---|---|
| SCHEMBL29947028 | 1.00 | TRIM58 (0.45) | TRIM58LMNAVCPKDM4EATM | |
| SCHEMBL21621300 | 0.86 | LMNA (0.43) | TRIM58LMNAVCPKDM4EATM | |
| SCHEMBL29947060 | 0.86 | LMNA (0.43) | TRIM58LMNAVCPKDM4EATM | |
| SCHEMBL21621245 | 0.85 | TRIM58 (0.44) | TRIM58LMNAVCPKDM4EATM | |
| SCHEMBL29947079 | 0.85 | TRIM58 (0.44) | TRIM58LMNAVCPKDM4EATM | |
| SCHEMBL21621282 | 0.83 | NUDT1 (0.44) | TRIM58LMNAKDM4EHIF1AALDH1A1 | |
| SCHEMBL29947059 | 0.83 | NUDT1 (0.44) | TRIM58LMNAKDM4EHIF1AALDH1A1 | |
| SCHEMBL21621174 | 0.80 | ADORA1 (0.46) | ALDH1A1CYP1A2MAP4K4CLK4 | |
| SCHEMBL20392542 | 0.76 | ADORA2A (0.56) | MAP4K4 | |
| SCHEMBL21621266 | 0.71 | ADORA1 (0.59) | LMNAKDM4EHIF1AALDH1A1CYP1A2 |
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 |