Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 8/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.42 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20671837 | 1.00 | PDK1 (0.43) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL16887633 | 0.88 | PDK1 (0.56) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL22481436 | 0.86 | ALDH1A1 (0.50) | PDK1CYP19A1L3MBTL1ALDH1A1MEN1 | |
| SCHEMBL3401674 | 0.86 | PDK1 (0.41) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL15431235 | 0.85 | PDK1 (0.41) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL17893277 | 0.84 | PDK1 (0.44) | PDK1L3MBTL1ALDH1A1 | |
| SCHEMBL8425994 | 0.84 | PDK1 (0.48) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL18528191 | 0.84 | PDK1 (0.44) | PDK1L3MBTL1ALDH1A1 | |
| SCHEMBL26724840 | 0.83 | PDK1 (0.40) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL28224256 | 0.83 | PDK1 (0.40) | PDK1CHRNB2CHRNA3CHRNA4CHRNB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3889154-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Wuhan LL Science And Technology Development Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020135771-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2020-07-02 | — | — | WO | disclosed |