Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9516795 | 0.86 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3HDAC1 | |
| SCHEMBL9516842 | 0.84 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3GAA | |
| SCHEMBL9515389 | 0.80 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3HDAC1 | |
| SCHEMBL9516989 | 0.74 | PDE4B (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3GAA | |
| SCHEMBL9515797 | 0.70 | CHRNB2 (0.34) | CHRNB2CHRNA4CHRNB4CHRNA3GAA | |
| SCHEMBL18850171 | 0.69 | DPP4 (0.48) | DPP4GAAALDH1A1KDM4ETHRB | |
| SCHEMBL7270086 | 0.68 | ALDH1A1 (0.41) | GAAALDH1A1THRBATML3MBTL1 | |
| SCHEMBL2424477 | 0.67 | ALDH1A1 (0.55) | GAAALDH1A1SOAT1CHRM1 | |
| SCHEMBL7954919 | 0.67 | — | — | |
| SCHEMBL13335415 | 0.67 | CHRNB2 (0.55) | DPP4CHRNB2CHRNA4CHRNB4CHRNA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0538692-A1 | Use of partly known substituted pyrrolidine derivatives as pharmaceuticals, new compounds and process for their preparation | BAYER AG (DE) | 1993-04-28 | — | — | EP | disclosed |