Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 5/20 | 0.53 |
| ▸ | EBP | Q15125 | 4/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | HTR6 | P50406 | 2/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8915871 | 0.86 | LTA4H (0.58) | CYP2D6CYP1A2LTA4HESR1EBP | |
| SCHEMBL10572452 | 0.82 | CYP2D6 (0.52) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL8916213 | 0.80 | CYP2D6 (0.53) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL12610941 | 0.78 | CYP2D6 (0.74) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL1405290 | 0.78 | CYP2D6 (0.74) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL10571291 | 0.78 | MCHR1 (0.48) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL19717574 | 0.78 | CYP2D6 (0.57) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL19717575 | 0.78 | CYP2D6 (0.57) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL12893226 | 0.77 | CYP2D6 (0.56) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| Hydrochloric Acid SCHEMBL10505479 | 0.77 | CYP2D6 (0.72) | CYP2D6HTTCYP1A2LTA4HCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5658951-A | ANTIESTROGENS, ANTITUMOR AGENTS | RESEARCH CORPORATION TECHNOLOGIES (US) | 1997-08-19 | — | — | US | disclosed |