Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | 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 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1834812 | 0.81 | CHRM1 (0.48) | ALDH1A1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL27259554 | 0.80 | CHRM1 (0.52) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL27932307 | 0.80 | SLC1A3 (0.36) | ALDH1A1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL15443523 | 0.80 | TSHR (0.36) | ALDH1A1CA2CA1CA7CA14 | |
| SCHEMBL27932300 | 0.80 | CHRM1 (0.42) | ALDH1A1CHRM1AKR1A1CHRM3HTR2A | |
| Valproic Acid SCHEMBL28810117 | 0.80 | CHRM1 (0.61) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Isoleucine SCHEMBL28053073 | 0.78 | SLC7A5 (0.36) | SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL27550457 | 0.77 | GPR84 (0.44) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL27259330 | 0.76 | FOLH1 (0.33) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL27973666 | 0.76 | CHRM1 (0.47) | ALDH1A1CHRM1AKR1A1CHRM3HTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103477492-A | Non-aqueous electrolyte solution and electricity-storage device using same | UBE INDUSTRIES | 2013-12-25 | — | — | CN | disclosed |