Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18433428 | 0.83 | PLAU (0.49) | PLAUSLC9A1CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL9209273 | 0.79 | HDAC3 (0.47) | SLC9A1CYP2A6CYP1A2SLC22A12GPR3 | |
| SCHEMBL29064514 | 0.77 | PLAU (0.47) | PLAUSLC9A1CYP2A6CYP1A2SLC22A12 | |
| SCHEMBL30617314 | 0.75 | PLAU (0.51) | PLAUSLC9A1CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL10689841 | 0.75 | PLAU (0.51) | PLAUSLC9A1CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL16361159 | 0.75 | PLAU (0.56) | PLAUSLC9A1CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL806604 | 0.74 | PLAU (0.55) | PLAUSLC9A1CYP2A6CYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10586469 | 0.73 | PLAU (0.54) | PLAUSLC9A1CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL31425959 | 0.72 | PLAU (0.53) | PLAUSLC9A1CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL6329507 | 0.71 | SLC9A1 (0.57) | PLAUSLC9A1L3MBTL1 |
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-103709163-B | Xanthine derivative, Preparation Method And The Use | 齐鲁制药有限公司 | 2016-12-21 | — | — | CN | claimed |
| CN-103709163-B | Xanthine derivative, Preparation Method And The Use | 齐鲁制药有限公司 | 2016-12-21 | — | — | CN | disclosed |