Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 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 | |
|---|---|---|---|---|
| SCHEMBL32673216 | 1.00 | PTPN1 (0.35) | PTPN1MAPK1CYP3A4TSHRGMNN | |
| SCHEMBL11292423 | 1.00 | PTPN1 (0.35) | PTPN1MAPK1CYP3A4TSHRGMNN | |
| SCHEMBL11250413 | 1.00 | PTPN1 (0.35) | PTPN1MAPK1CYP3A4TSHRGMNN | |
| SCHEMBL11292426 | 1.00 | PTPN1 (0.35) | PTPN1MAPK1CYP3A4TSHRGMNN | |
| SCHEMBL21903091 | 0.83 | PTPN1 (0.31) | PTPN1 | |
| SCHEMBL21903081 | 0.83 | PTPN1 (0.31) | PTPN1 | |
| SCHEMBL21903096 | 0.83 | PTPN1 (0.31) | PTPN1 | |
| SCHEMBL872776 | 0.83 | PTPN1 (0.31) | PTPN1 | |
| SCHEMBL10648152 | 0.75 | — | — | |
| SCHEMBL19747687 | 0.74 | MAPK1 (0.31) | MAPK1GMNNBLMPMP22NPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4347190-A | ORGANOLEPTIC | GIVAUDAN CORPORATION (US) | 1982-08-31 | — | — | US | disclosed |
| EP-0010142-B1 | SESQUITERPENOID TETRAHYDROFURAN DERIVATIVES (I) AS ISOLATED COMPOUNDS OR IN THE FORM OF MIXTURES, PROCESS AND STARTING MATERIALS (V) FOR THEIR PREPARATION, APPLICATION OF (I) AS PERFUMES AND/OR FLAVORS AND PERFUME AND/OR FLAVOR COMPOSITIONS WITH AN AMOUNT OF (I) | L. Givaudan & Cie Société Anonyme (CH) | 1981-07-22 | — | — | EP | disclosed |
| US-4255337-A | SUBSTITUTED HEXENYL TETRAHYDROFURAN | GIVAUDAN CORPORATION (US) | 1981-03-10 | — | — | US | disclosed |
| EP-0010142-A1 | Sesquiterpenoid tetrahydrofuran derivatives (I) as isolated compounds or in the form of mixtures, process and starting materials (V) for their preparation, application of (I) as perfumes and/or flavors and perfume and/or flavor compositions with an amount of (I) | L. Givaudan & Cie Société Anonyme (CH) | 1980-04-30 | — | — | EP | disclosed |