Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8743001 | 0.91 | HDAC1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL30924819 | 0.87 | CA2 (0.57) | TSHRCA2MAPK1CA1ALDH1A1 | |
| SCHEMBL812136 | 0.85 | — | — | |
| SCHEMBL26575537 | 0.81 | HDAC1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL30820553 | 0.81 | CA2 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL16374300 | 0.81 | TSHR (0.35) | TSHRCA2MAPK1CA1ALDH1A1 | |
| SCHEMBL10526621 | 0.77 | GRIK1 (0.39) | TSHRCA2MAPK1CA1ALDH1A1 | |
| SCHEMBL8079206 | 0.76 | TSHR (0.40) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Propene SCHEMBL27932294 | 0.76 | CHRM1 (0.62) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL275821 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2173704-A2 | PROCESS FOR THE PREPARATION OF ETHYLGERANONITRILE | BASF SE (DE) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009013199-A3 | PROCESS FOR THE PREPARATION OF ETHYLGERANONITRILE | BASF SE (DE) | 2009-04-02 | — | — | WO | disclosed |
| WO-2009013199-A2 | PROCESS FOR THE PREPARATION OF ETHYLGERANONITRILE | BASF SE (DE) | 2009-01-29 | — | — | WO | disclosed |