Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 5/20 | 0.50 |
| ▸ | EBP | Q15125 | 4/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8918082 | 0.88 | LTA4H (0.55) | CYP2D6LTA4HCYP1A2ESR1EBP | |
| SCHEMBL8915518 | 0.83 | LTA4H (0.55) | CYP2D6LTA4HCYP1A2ESR1EBP | |
| SCHEMBL8916707 | 0.80 | CYP2D6 (0.57) | CYP2D6HTTLTA4HCYP1A2CYP2C9 | |
| SCHEMBL8845624 | 0.80 | HTT (0.57) | CYP2D6HTTLTA4HCYP1A2CYP2C9 | |
| SCHEMBL9839159 | 0.75 | LTA4H (0.52) | CYP2D6LTA4HCYP1A2ESR1EBP | |
| SCHEMBL1405290 | 0.75 | CYP2D6 (0.74) | CYP2D6HTTLTA4HCYP1A2CYP2C9 | |
| SCHEMBL12610941 | 0.75 | CYP2D6 (0.74) | CYP2D6HTTLTA4HCYP1A2CYP2C9 | |
| SCHEMBL10571628 | 0.74 | CYP2D6 (0.60) | CYP2D6HTTLTA4HCYP1A2CYP2C9 | |
| SCHEMBL8915859 | 0.74 | LTA4H (0.54) | LTA4HESR1KMT2AHRH3KDM4E | |
| SCHEMBL8916605 | 0.74 | LTA4H (0.56) | LTA4HESR1DRD3KMT2AHRH3 |
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 |