Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20108522 | 0.78 | APP (0.34) | AKR1C3AKR1C2 | |
| SCHEMBL1133224 | 0.71 | CYP2A6 (0.54) | ESR1ESR2IKBKBCYP2A6TDP1 | |
| SCHEMBL20108617 | 0.71 | CYP11B1 (0.38) | AKR1C3AKR1C2ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL22993033 | 0.69 | CYP1A2 (0.47) | ESR1ESR2IKBKBCYP2A6TDP1 | |
| SCHEMBL15853166 | 0.68 | ESR1 (0.44) | ESR1ESR2HSD11B1CYP2A6AKR1C3 | |
| SCHEMBL28233048 | 0.68 | ESR1 (0.50) | ESR1ESR2IKBKBCYP2A6AKR1C3 | |
| SCHEMBL28233058 | 0.67 | IKBKB (0.46) | ESR1ESR2HSD11B1IKBKBCYP2A6 | |
| SCHEMBL28297512 | 0.67 | ESR1 (0.52) | ESR1ESR2HSD11B1GSTP1ALOX5 | |
| SCHEMBL28112982 | 0.67 | ESR1 (0.46) | ESR1ESR2IKBKBCYP2A6AKR1C3 | |
| SCHEMBL26803750 | 0.67 | CYP1A2 (0.46) | ESR1ESR2IKBKBCYP2A6AKR1C3 |
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-2964635-B1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-05-02 | — | — | EP | disclosed |