Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL473531 | 0.91 | — | — | |
| SCHEMBL104009 | 0.83 | — | — | |
| SCHEMBL27836649 | 0.83 | CRBN (0.41) | TLR4CRBNNOS3NOS1NOS2 | |
| SCHEMBL8299358 | 0.82 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DCYP2D6 | |
| Acetaldehyde SCHEMBL10567483 | 0.82 | PDE4A (0.32) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19339544 | 0.77 | DAO (0.33) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6132218 | 0.77 | DAO (0.33) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21363806 | 0.77 | NPC1 (0.32) | — | |
| SCHEMBL6524180 | 0.76 | — | — | |
| SCHEMBL18415030 | 0.76 | — | — |
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-1082449-A1 | METHOD FOR STEREOSELECTIVE PRODUCTION OF SUBSTITUTED CYCLOHEXYLCYANHYDRINS | Bayer Aktiengesellschaft (DE) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999063104-A1 | METHOD FOR STEREOSELECTIVE PRODUCTION OF SUBSTITUTED CYCLOHEXYLCYANHYDRINS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-12-09 | — | — | WO | disclosed |