Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL11342234 | 0.91 | CHRM1 (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL6067583 | 0.81 | CHRM1 (0.42) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL1245572 | 0.81 | CHRM1 (0.42) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL11338453 | 0.80 | TSHR (0.36) | CHRM1ADRA1ACA2MAPK1TSHR | |
| SCHEMBL21269139 | 0.79 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL27114605 | 0.79 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL21268905 | 0.79 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL21269539 | 0.79 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28315732 | 0.79 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28057535 | 0.79 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0491127-B1 | 3-(Cis-3-hexenyloxy)-propane-nitrile, its preparation and its use | DRAGOCO GERBERDING CO AG (DE) | 1997-07-30 | — | — | EP | disclosed |
| EP-0491127-A1 | 3-(Hexenyloxy)propanenitriles, their preparation and their use | Dragoco Gerberding & Co Aktiengesellschaft (DE) | 1992-06-24 | — | — | EP | disclosed |