Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7992107 | 0.82 | KDM1A (0.50) | BCHEKDM1AMAOB | |
| SCHEMBL3223404 | 0.79 | CES1 (0.57) | SIGMAR1HPGDPLA2G4ACES1 | |
| SCHEMBL6657646 | 0.77 | PDPK1 (0.48) | PLA2G4AKDM1AMAOBCES1 | |
| SCHEMBL18956515 | 0.76 | HTT (0.57) | HPGDPLA2G4ACES1 | |
| SCHEMBL18956313 | 0.75 | PLA2G4A (0.59) | HPGDPLA2G4ACES1 | |
| SCHEMBL4730269 | 0.75 | CYP2C19 (0.43) | DRD4KDM1AMAOB | |
| SCHEMBL29886718 | 0.75 | HPGD (0.58) | SIGMAR1HPGDPLA2G4ACES1 | |
| SCHEMBL1843939 | 0.74 | ADRB2 (0.39) | DRD4KDM1AMAOB | |
| SCHEMBL4065566 | 0.74 | SIGMAR1 (0.88) | SIGMAR1BCHEMPO | |
| SCHEMBL2311217 | 0.74 | CYP2C19 (0.46) | KDM1AMAOB |
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-1200440-A1 | QUINUCLIDINE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL DISORDERS | Vertex Pharmaceuticals Incorporated (US) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001002405-A1 | QUINUCLIDINE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL DISORDERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-01-11 | — | — | WO | disclosed |