Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12014425 | 0.82 | ALDH1A1 (0.57) | THRBALDH1A1LMNAMAPK1CYP1A2 | |
| SCHEMBL31259111 | 0.81 | ALDH1A1 (0.59) | THRBALDH1A1LMNAMAPK1CYP1A2 | |
| SCHEMBL12014422 | 0.81 | ALDH1A1 (0.59) | THRBALDH1A1LMNAMAPK1CYP1A2 | |
| SCHEMBL5339766 | 0.81 | TSHR (0.40) | CYP1A2L3MBTL1TSHR | |
| SCHEMBL673095 | 0.79 | DGKA (0.50) | THRBALDH1A1LMNAMAPK1CYP1A2 | |
| SCHEMBL11598618 | 0.79 | DGKA (0.50) | THRBALDH1A1LMNAMAPK1CYP1A2 | |
| SCHEMBL3734236 | 0.77 | ALDH1A1 (0.44) | THRBALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL1880519 | 0.76 | ALDH1A1 (0.34) | ALDH1A1HRH3MAPTL3MBTL1TSHR | |
| Bromide SCHEMBL3733216 | 0.76 | ALDH1A1 (0.43) | THRBALDH1A1CYP1A2CHRM2CHRM4 | |
| SCHEMBL3738390 | 0.76 | ALOX5 (0.47) | THRBALDH1A1CYP1A2CYP2D6L3MBTL1 |
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-101115709-A | Aminocarboxylic acid derivative and medical use thereof | ONO PHARMACEUTICAL CO (JP) | 2008-01-30 | — | — | CN | disclosed |