Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.64 |
| ▸ | DRD3 | P35462 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | HRH3 | Q9Y5N1 | 18/20 | 0.52 |
| ▸ | MAOB | P27338 | 8/20 | 0.52 |
| ▸ | EBP | Q15125 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9297202 | 1.00 | ADORA3 (0.64) | ADORA3CHRM1DRD3KCNH2HRH3 | |
| SCHEMBL11162026 | 0.87 | ADORA3 (0.50) | ADORA3CHRM1DRD3KCNH2HRH3 | |
| SCHEMBL11459625 | 0.87 | DRD3 (0.49) | ADORA3CHRM1DRD3KCNH2HRH3 | |
| Fenpropidin SCHEMBL8148240 | 0.87 | SIGMAR1 (0.62) | ADORA3CHRM1DRD3KCNH2HRH3 | |
| Fenpropidin SCHEMBL9020970 | 0.87 | SIGMAR1 (0.62) | ADORA3CHRM1DRD3KCNH2HRH3 | |
| Fenpropidin SCHEMBL8445539 | 0.87 | SIGMAR1 (0.62) | ADORA3CHRM1DRD3KCNH2HRH3 | |
| Fenpropidin SCHEMBL21278 | 0.87 | SIGMAR1 (0.62) | ADORA3CHRM1DRD3KCNH2HRH3 | |
| SCHEMBL11467400 | 0.87 | DRD3 (0.50) | ADORA3CHRM1DRD3KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL11394699 | 0.86 | ADORA3 (0.49) | ADORA3CHRM1DRD3KCNH2HRH3 | |
| Amorolfine SCHEMBL23111397 | 0.85 | ADORA3 (0.81) | ADORA3CHRM1DRD3KCNH2HRH3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0492401-A1 | Asymmetric hydrogenation | CIBA-GEIGY AG (CH) | 1992-07-01 | — | — | EP | claimed |
| EP-0492401-B1 | Asymmetric hydrogenation | CIBA GEIGY AG (CH) | 1996-01-24 | — | — | EP | disclosed |
| US-5288928-A | Using neutal or cationic rhodium complex of a chiral atropisomeric diphosphine ligand as catalyst | CIBA-GEIGY CORPORATION (US) | 1994-02-22 | — | — | US | disclosed |
| EP-0492401-A1 | Asymmetric hydrogenation | CIBA-GEIGY AG (CH) | 1992-07-01 | — | — | EP | disclosed |