Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1734188 | 0.78 | DAO (0.36) | ADRB3HSD17B1HSD17B2 | |
| SCHEMBL3413575 | 0.76 | OXTR (0.37) | TYRPOLBADRB3HSD17B1HSD17B2 | |
| SCHEMBL27911912 | 0.75 | POLB (0.54) | TYRPOLBESR1CYP19A1ESR2 | |
| SCHEMBL18397257 | 0.72 | GAA (0.39) | — | |
| SCHEMBL4033510 | 0.71 | POLB (0.46) | TYRPOLBESR1CYP19A1ESR2 | |
| SCHEMBL25191920 | 0.70 | CHRNA7 (0.41) | POLBADRB3HSD17B1HSD17B2OXTR | |
| SCHEMBL3602439 | 0.69 | CHRNB2 (0.47) | — | |
| SCHEMBL30639497 | 0.69 | CHRNB2 (0.47) | — | |
| SCHEMBL3435210 | 0.68 | ESR1 (0.68) | POLBESR1CYP19A1ESR2L3MBTL1 | |
| SCHEMBL996927 | 0.68 | CYP3A4 (0.47) | POLBHSD17B1HSD17B2OXTR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2259689-A1 | FLAVOR MOLECULES | Givaudan SA (CH) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009105906-A1 | FLAVOR MOLECULES | GIVAUDAN SA (CH) | 2009-09-03 | — | — | WO | disclosed |