Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 6/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23960464 | 1.00 | PDE2A (0.47) | PDE2ACYP19A1CASRPAX8AKR1C3 | |
| SCHEMBL23960462 | 1.00 | PDE2A (0.47) | PDE2ACYP19A1CASRPAX8AKR1C3 | |
| SCHEMBL7893366 | 0.83 | ESR1 (0.52) | DAOESR1PDCD1ESR2CD274 | |
| SCHEMBL21910592 | 0.83 | PDE2A (0.44) | PDE2ACYP19A1CASRPAX8AKR1C3 | |
| SCHEMBL10204595 | 0.83 | TACR1 (0.39) | TACR1DAO | |
| SCHEMBL17071860 | 0.83 | ACP3 (0.55) | PDE2ACASR | |
| SCHEMBL2680513 | 0.83 | PDE2A (0.47) | PDE2ACES2CES1ESR1PDCD1 | |
| Chloromethane SCHEMBL27654425 | 0.81 | PAX8 (0.48) | CYP19A1PAX8CES2CES1CYP1A1 | |
| Ammonia Solution, Strong SCHEMBL7995946 | 0.81 | ESR1 (0.50) | DAOESR1PDCD1ESR2CD274 | |
| SCHEMBL14473442 | 0.81 | ESR1 (0.67) | PDE2ACES2CES1ESR1PDCD1 |
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-2021214048-A1 | DUAL INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE AND 5-LIPOXYGENASE | Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) | 2021-10-28 | — | — | WO | disclosed |