Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
| ▸ | PRKACA | P17612 | 1/20 | 0.30 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.30 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29951391 | 0.90 | GABRG2 (0.36) | MAP2K4GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL9951845 | 0.85 | MAP2K4 (0.40) | MAP2K4GABRG2GABRB3GABRA5PTGER4 | |
| SCHEMBL14739081 | 0.83 | HTR6 (0.46) | MAP2K4GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL9952523 | 0.83 | MAP2K4 (0.42) | MAP2K4GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL24738080 | 0.82 | GABRG2 (0.45) | MAP2K4GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL15169674 | 0.82 | MAP2K4 (0.43) | MAP2K4GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL3514381 | 0.82 | MAP2K4 (0.43) | MAP2K4GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL2732559 | 0.82 | CDK1 (0.43) | MAP2K4GABRG2GABRB3GABRA5ELANE | |
| SCHEMBL5384350 | 0.81 | MAP2K4 (0.38) | MAP2K4GABRG2GABRB3GABRA5PTGER4 | |
| SCHEMBL5952597 | 0.81 | ELANE (0.41) | MAP2K4GABRG2GABRB3GABRA5ELANE |
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-112566905-B | Substituted phenylpropenyl pyridine derivatives, preparation method and medical application thereof | 上海海雁医药科技有限公司 | 2024-07-30 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-3967687-A1 | SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) | 2022-03-16 | — | — | EP | disclosed |