Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9883262 | 0.85 | CES2 (0.45) | CES2CES1CA2MAPK1FFAR3 | |
| SCHEMBL2465225 | 0.78 | CES2 (0.39) | CES2CES1CA2MAPK1FFAR3 | |
| SCHEMBL20838325 | 0.78 | HDAC1 (0.50) | CES2CES1CA2MAPK1FFAR3 | |
| SCHEMBL28747829 | 0.74 | CA2 (0.40) | CES2CES1CA2MAPK1FFAR3 | |
| SCHEMBL812448 | 0.74 | CA2 (0.61) | CA2MAPK1CA1 | |
| SCHEMBL21343979 | 0.74 | SLC1A3 (0.38) | CES2CES1CA2MAPK1FFAR3 | |
| SCHEMBL328134 | 0.73 | USP2 (0.43) | CA2MAPK1CA1TSHRUSP2 | |
| SCHEMBL8423880 | 0.73 | CA2 (0.54) | CA2MAPK1CA1 | |
| SCHEMBL8860533 | 0.72 | CES2 (0.43) | CES2CES1MAPK1FFAR3HDAC3 | |
| SCHEMBL9582293 | 0.72 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4119788-A | ODORS, FLAVORS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-10-10 | — | — | US | disclosed |
| US-4107197-A | KETONE REACTED WITH SULFURYL CHLORIDE, ALPHA-CHLORO KETONE REACTED WITH ALKALI METAL COMPOUND | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-08-15 | — | — | US | disclosed |
| US-4097396-A | Soaps and detergents containing alpha-oxy(oxo)sulfides as perfumes | INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) | 1978-06-27 | — | — | US | disclosed |
| US-4097615-A | ORGANOLEPTIC, AROMA AND TASTE ENHANCING | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-06-27 | — | — | US | disclosed |
| US-4097532-A | ENHANCING FLAVOR AND AROMA | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-06-27 | — | — | US | disclosed |
| US-4094824-A | α-Oxy(oxo) sulfides in perfume | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-06-13 | — | — | US | disclosed |
| US-4088697-A | 3-PROPYLTHIO-4-HEPTANOL; FOODSTUFF FLAVORS OR ODORANTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-05-09 | — | — | US | disclosed |
| US-4083862-A | α-Oxy(oxo) sulfides and ethers | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-04-11 | — | — | US | disclosed |
| US-4065408-A | α-Oxy(oxo) sulfide perfume and cologne compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-4061796-A | Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4061795-A | Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4055691-A | Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-4053655-A | Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-11 | — | — | US | disclosed |
| US-4053654-A | Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-11 | — | — | US | disclosed |
| US-4045491-A | PERFUMES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-30 | — | — | US | disclosed |
| US-4044164-A | BERRY, CEREAL, NUT, BROCCOLI, ONION, CITRUS, JASMIN, MILK CARAMEL, GRAPE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-23 | — | — | US | disclosed |