Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 5/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18741025 | 0.89 | SHBG (0.38) | SHBGCYP19A1AKR1B10AKR1B1OR51E2 | |
| SCHEMBL22443225 | 0.85 | SHBG (0.39) | SHBGCYP19A1AKR1B10AKR1B1OR51E2 | |
| SCHEMBL14873915 | 0.85 | CYP19A1 (0.35) | SHBGCYP19A1AKR1B10AKR1B1OR51E2 | |
| SCHEMBL22443364 | 0.85 | SHBG (0.39) | SHBGCYP19A1AKR1B10AKR1B1OR51E2 | |
| SCHEMBL14879774 | 0.85 | ALDH1A1 (0.33) | SHBGCYP19A1MBOAT4CYP3A4ALDH1A1 | |
| SCHEMBL9314092 | 0.76 | CYP19A1 (0.38) | SHBGCYP19A1AKR1B10AKR1B1OR51E2 | |
| SCHEMBL18740940 | 0.73 | SHBG (0.41) | SHBGCYP19A1AKR1B10AKR1B1OR51E2 | |
| SCHEMBL23308952 | 0.71 | ALDH1A1 (0.35) | HSD17B10ALDH1A1 | |
| SCHEMBL24831121 | 0.71 | ENTPD5 (0.33) | HSD17B10 | |
| SCHEMBL28655951 | 0.71 | ALDH1A1 (0.35) | HSD17B10ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3837235-A1 | ISOMERISATION REACTION | Firmenich SA (CH) | 2021-06-23 | — | — | EP | disclosed |
| CN-112805266-A | Isomerization reaction | 弗门尼舍有限公司 | 2021-05-14 | — | — | CN | disclosed |
| WO-2020187877-A1 | ISOMERISATION REACTION | FIRMENICH SA (CH) | 2020-09-24 | — | — | WO | disclosed |