Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 11/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ESRRB | O95718 | 1/20 | 0.40 |
| ▸ | ESRRA | P11474 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18937694 | 0.82 | ESR2 (0.41) | ESR2CYP2C9ESR1CYP3A4CYP2D6 | |
| SCHEMBL18937695 | 0.78 | ESR2 (0.43) | ESR2CYP2C9ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL3412936 | 0.77 | ESR2 (0.60) | ESR2CYP2C9ESR1CYP3A4CYP2D6 | |
| SCHEMBL70496 | 0.75 | ESR2 (0.64) | ESR2CYP2C9ESR1CYP3A4CYP2D6 | |
| SCHEMBL22816414 | 0.74 | SLC18A3 (0.69) | ESR2CYP2C19ESR1CYP2D6ESRRB | |
| SCHEMBL18937771 | 0.72 | ESR2 (0.43) | ESR2CYP2C9ESR1CYP3A4CYP2D6 | |
| SCHEMBL17124882 | 0.72 | SLC18A3 (0.44) | ALDH1A1MAPTCYP2D6HRH3SLC18A3 | |
| SCHEMBL15787994 | 0.72 | SLC18A3 (0.53) | ALDH1A1MAPTCYP2C19CYP2D6HRH3 | |
| SCHEMBL11872812 | 0.71 | ESR2 (0.59) | ESR2CYP2C9ESR1CYP3A4CYP2D6 | |
| SCHEMBL17194446 | 0.71 | SLC18A3 (0.55) | ALDH1A1CYP2C19CYP3A4CYP2D6HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2925721-B1 | S1P AND/OR ATX MODULATING AGENTS | BIOGEN MA INC (US) | 2017-06-07 | — | — | EP | disclosed |