Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.35 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.35 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.35 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.35 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.35 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.35 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.35 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | EFNA1 | P20827 | 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 | |
|---|---|---|---|---|
| SCHEMBL178362 | 0.74 | ESR1 (0.41) | CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL137499 | 0.74 | ESR1 (0.41) | CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL16303298 | 0.74 | ESR1 (0.41) | CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL103223 | 0.74 | ESR1 (0.41) | CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL103636 | 0.74 | ESR1 (0.41) | CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL13261217 | 0.74 | ESR1 (0.41) | CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL10402779 | 0.70 | CYP19A1 (0.51) | CYP19A1LMNATSHRHSD17B10AKR1B10 | |
| SCHEMBL8906299 | 0.69 | CYP3A4 (0.37) | GAAMAPTRECQL | |
| SCHEMBL8245830 | 0.68 | CYP19A1 (0.34) | CYP19A1LMNATSHRHSD17B10GPBAR1 | |
| SCHEMBL16029934 | 0.67 | CYP19A1 (0.38) | CYP19A1ATP1A1ATP1B1ATP1A3ATP1B2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0047154-B1 | METHYL-SUBSTITUTED OXY- AND OXO-BICYCLO-4,4,0-DECANE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND ORGANOLEPTIC USES THEREOF | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-05-02 | — | — | EP | disclosed |
| US-4466898-A | Methyl substituted oxobicyclo-4,4,0-decane derivatives, process for preparing same and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-08-21 | — | — | US | disclosed |
| US-4431680-A | FOODS; CHEWING GUM; DENTRIFICES; DRUGS; PERFUMES; TOBACCO; COSMETICS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-02-14 | — | — | US | disclosed |
| US-4431843-A | FOODS; CHEWING GUM; DENTIFRICES; TOBACCO | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-02-14 | — | — | US | disclosed |
| US-4387048-A | Methyl substituted oxobicyclo-4,4,0-decane derivatives and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-06-07 | — | — | US | disclosed |
| US-4377714-A | SALT FORMATION OF THE KETONE DERIVATIVE, HYDROLYSIS TO THE HYDROXY DERIVATIVE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-03-22 | — | — | US | disclosed |
| US-4339467-A | Flavoring with methyl substituted oxobicyclo-4,4,0-decane derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-07-13 | — | — | US | disclosed |
| US-4320772-A | Methyl substituted oxobicyclo-4,4,0-decane derivatives, process for preparing same and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-03-23 | — | — | US | disclosed |
| EP-0047154-A2 | Methyl-substituted oxy- and oxo-bicyclo-4,4,0-decane derivatives, process for preparing the same and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-03-10 | — | — | EP | disclosed |