Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3951418 | 0.81 | GABRA1 (0.56) | ALDH1A1GAAGABRA1GABRB2ALOX5 | |
| SCHEMBL5883213 | 0.80 | KDM4E (0.46) | ALDH1A1POLB | |
| SCHEMBL15209922 | 0.77 | ADRA2C (0.56) | ALDH1A1ADRA2AADRA2BADRA2CHTR1A | |
| SCHEMBL20449089 | 0.76 | CYP19A1 (0.50) | ALDH1A1POLBGABRA1GABRB2 | |
| SCHEMBL1272528 | 0.76 | ALDH1A1 (0.39) | ALDH1A1POLBGAACSNK2A1 | |
| SCHEMBL9329195 | 0.74 | KDM4E (0.66) | ALDH1A1ADRA2CHTR1AKCNH2 | |
| SCHEMBL20819295 | 0.74 | RORC (0.59) | ALDH1A1POLBGABRA1GABRB2ALOX5 | |
| SCHEMBL7325807 | 0.74 | ALDH1A1 (0.50) | ALDH1A1POLBGAACSNK2A1 | |
| Bromide SCHEMBL8416708 | 0.73 | KDM4E (0.65) | ALDH1A1ADRA2CHTR1AKCNH2 | |
| Hydrochloric Acid SCHEMBL10607534 | 0.72 | ALDH1A1 (0.53) | ALDH1A1POLBGAACSNK2A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019053617-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-03-21 | — | — | WO | disclosed |