Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CCR3 | P51677 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6703510 | 0.88 | ACP3 (0.51) | ACP3TACR1CACNA1ACACNA2D1CACNA1B | |
| SCHEMBL65457 | 0.87 | CACNA2D1 (0.37) | CYP19A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL15577528 | 0.80 | HTR2A (0.41) | — | |
| SCHEMBL6962007 | 0.79 | SERPINH1 (0.41) | CACNA2D1CACNA1BCACNB1CACNA1CMAOB | |
| SCHEMBL4433877 | 0.77 | ACP3 (0.39) | ACP3TACR1CACNA1ACACNA2D1CACNA1B | |
| SCHEMBL4441831 | 0.77 | CASR (0.35) | ACP3CACNA1ACACNA2D1CACNA1BCACNB1 | |
| SCHEMBL23960431 | 0.77 | CYP19A1 (0.54) | CYP19A1ACP3TACR1HSD11B1CES2 | |
| SCHEMBL25242922 | 0.77 | CES2 (0.41) | CYP19A1ACP3HSD11B1CES2CES1 | |
| SCHEMBL25210644 | 0.77 | CES2 (0.41) | CYP19A1ACP3HSD11B1CES2CES1 | |
| SCHEMBL25242924 | 0.77 | CES2 (0.41) | CYP19A1ACP3HSD11B1CES2CES1 |
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 |