Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22833258 | 0.81 | PDK1 (0.46) | HRH3GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25518276 | 0.79 | HRH3 (0.42) | HRH3SLC6A2PRMT5WDR77 | |
| SCHEMBL7002095 | 0.78 | GAA (0.51) | GAACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL10305118 | 0.78 | EPHA2 (0.42) | — | |
| SCHEMBL31314330 | 0.78 | EPHA2 (0.42) | — | |
| SCHEMBL7475825 | 0.78 | CYP1A2 (0.62) | GAACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7529280 | 0.78 | CYP1A2 (0.62) | GAACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL31588461 | 0.78 | CYP1A2 (0.62) | GAACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1526691 | 0.77 | GPR84 (0.46) | GAACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1526690 | 0.77 | GPR84 (0.46) | GAACYP1A2CYP2C9CYP2C19ALDH1A1 |
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-2020260857-A1 | HYDROXAMATE COMPOUNDS AS ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR | AdoRx Therapeutics Limited (GB) | 2020-12-30 | — | — | WO | disclosed |