Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | LTA4H | P09960 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | EBP | Q15125 | 3/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.63 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.57 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9706125 | 0.87 | EBP (0.72) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL8432273 | 0.85 | CYP1A2 (0.70) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL2424129 | 0.82 | KEAP1 (0.69) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL15876427 | 0.82 | CYP1A2 (0.66) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL10898516 | 0.82 | CYP1A2 (0.66) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL6932789 | 0.82 | CYP2D6 (0.66) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL4693255 | 0.81 | ESR1 (0.70) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL185585 | 0.81 | HRH3 (0.70) | CYP2D6CYP1A2LTA4HEBPSIGMAR1 | |
| Hydrochloric Acid SCHEMBL1985117 | 0.81 | CYP2D6 (0.64) | CYP2D6HTTCYP1A2LTA4HCYP2C9 | |
| SCHEMBL4088440 | 0.80 | CYP1A2 (0.59) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2012079154-A1 | SELECTIVE ESTROGEN RECEPTOR MODULATORS | DALHOUSIE UNIVERSITY (CA) | 2012-06-21 | — | — | WO | disclosed |