Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 6/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 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 | |
|---|---|---|---|---|
| SCHEMBL27866178 | 0.80 | HRH1 (0.33) | HSP90AA1PDCD1CD274CYP1A2CYP3A4 | |
| SCHEMBL1778280 | 0.79 | HSP90AA1 (0.33) | HSP90AA1PDCD1CD274CYP1A2CYP3A4 | |
| SCHEMBL3301973 | 0.79 | HDAC3 (0.36) | HSP90AA1PDCD1CD274CYP1A2CYP3A4 | |
| SCHEMBL30390174 | 0.76 | — | — | |
| SCHEMBL309452 | 0.76 | — | — | |
| SCHEMBL1829926 | 0.75 | ALDH1A1 (0.38) | HSP90AA1PDCD1CD274CYP1A2CYP3A4 | |
| SCHEMBL28362525 | 0.75 | HSP90AA1 (0.40) | HSP90AA1CYP1A2CYP3A4HDAC3HDAC1 | |
| Ethane SCHEMBL28701355 | 0.74 | CYP3A4 (0.39) | HSP90AA1CYP1A2CYP3A4HDAC3HDAC1 | |
| Ethane SCHEMBL29272596 | 0.72 | HRH1 (0.35) | HSP90AA1PDCD1CD274CYP1A2CYP3A4 | |
| SCHEMBL4412197 | 0.72 | CYP2D6 (0.43) | CYP3A4CYP2C9CYP2C19HRH1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4138410-A | Flavoring agent | FIRMENICH & CIE (CH) | 1979-02-06 | — | — | US | disclosed |
| US-4126618-A | FLAVOR ADDITIVES FOR FOODS AND BEVERAGES | FIRMENICH & CIE (CH) | 1978-11-21 | — | — | US | disclosed |
| US-3989713-A | Pyrrylmethylthio flavoring agents | FIRMENICH & CIE (CH) | 1976-11-02 | — | — | US | disclosed |
| US-3952026-A | FLAVOR ADDITIVE FOR FOODS AND BEVERAGES | FIRMENICH & CIE (CH) | 1976-04-20 | — | — | US | disclosed |
| US-3952024-A | FLAVOR ADDITIVE FOR FOODS AND BEVERAGES | FIRMENICH & CIE (CH) | 1976-04-20 | — | — | US | disclosed |
| US-3943260-A | TETRAHYDRO-THIO-PHEN-3-ONES | FIRMENICH & CIE (CH) | 1976-03-09 | — | — | US | disclosed |
| US-3931166-A | FLAVORANTS | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |
| US-3931246-A | FURYLALKYL-THIOETHERS | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |
| US-3931245-A | FURYLALKYLTHIOL CARBOXYLATES | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |