Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL145398 | 0.87 | ALDH1A1 (0.47) | FFAR3CHRM2CHRM4CHRM5CHRM1 | |
| Glycolic Acid SCHEMBL5031495 | 0.86 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Propionic Acid SCHEMBL5026808 | 0.86 | FFAR3 (0.46) | FFAR3ALDH1A1MEN1KMT2ADRD2 | |
| Acetic Acid SCHEMBL2761971 | 0.86 | CHRM2 (0.48) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Glycinebetaine SCHEMBL4853035 | 0.83 | TSHR (0.35) | FFAR3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL174185 | 0.80 | — | — | |
| SCHEMBL27389859 | 0.79 | CHRNB2 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Octanoic Acid SCHEMBL5031491 | 0.79 | DNM1 (0.60) | ALDH1A1DNM1ESR1MAPTMEN1 | |
| SCHEMBL27732685 | 0.77 | CHRM2 (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL11230541 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101316810-A | Ionic liquids | BIONIQS LTD (GB) | 2008-12-03 | — | — | CN | disclosed |
| US-20080221361-A1 | Ionic Liquids | BIONIQS LIMITED (GB) | 2008-09-11 | — | — | US | disclosed |