Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1300587 | 0.81 | TSHR (0.44) | TSHRCYP3A4NFKB1NPSR1TDP1 | |
| SCHEMBL7542562 | 0.80 | — | — | |
| SCHEMBL11328060 | 0.80 | CES1 (0.39) | TSHRCES1TDP1CA1ALDH1A1 | |
| SCHEMBL594273 | 0.80 | — | — | |
| SCHEMBL14034261 | 0.80 | — | — | |
| SCHEMBL10984647 | 0.77 | TSHR (0.41) | TSHRCYP3A4NFKB1NPSR1TDP1 | |
| SCHEMBL11559831 | 0.77 | TSHR (0.50) | TSHRCYP3A4NFKB1NPSR1TDP1 | |
| SCHEMBL15309768 | 0.76 | CA2 (0.48) | TSHRCYP3A4NFKB1NPSR1TDP1 | |
| SCHEMBL905435 | 0.75 | — | — | |
| SCHEMBL276026 | 0.75 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3950566-A | Flavoring agent | FIRMENICH & CIE (CH) | 1976-04-13 | — | — | US | claimed |
| US-4303689-A | Flavoring with pyrazine derivatives | FIRMENICH SA (CH) | 1981-12-01 | — | — | US | disclosed |
| 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-4085109-A | Pyridine sulfur flavoring agents | FIRMENICH & CIE (CH) | 1978-04-18 | — | — | 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-3950566-A | Flavoring agent | FIRMENICH & CIE (CH) | 1976-04-13 | — | — | 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-3931245-A | FURYLALKYLTHIOL CARBOXYLATES | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |
| US-3931246-A | FURYLALKYL-THIOETHERS | FIRMENICH & CIE (CH) | 1976-01-06 | — | — | US | disclosed |