Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21214892 | 0.84 | PDK1 (0.51) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL12233353 | 0.84 | PDK1 (0.51) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22167955 | 0.84 | PDK1 (0.51) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL4653478 | 0.79 | SMN1; SMN2 (0.47) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL18399279 | 0.79 | PDK1 (0.50) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL23698671 | 0.78 | PDK1 (0.44) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL23710201 | 0.78 | PDK1 (0.44) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL23710003 | 0.78 | PDK1 (0.44) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL318832 | 0.78 | SMN1; SMN2 (0.45) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1926307 | 0.77 | USP2 (0.46) | USP2MEN1KMT2AALDH1A1HPGD |
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 |
| CN-102164909-A | Pyrine or pyrazine derivatives for treating HCV | HOFFMANN LA ROCHE | 2011-08-24 | — | — | CN | disclosed |