Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.50 |
| ▸ | NPC1 | O15118 | 8/20 | 0.50 |
| ▸ | CASP3 | P42574 | 3/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17115048 | 0.84 | THRB (0.56) | RAB9ANPC1ADRB1TP53MAPT | |
| SCHEMBL18603141 | 0.84 | HTR7 (0.50) | TP53HTR7HTR1AHTR1DHTR2A | |
| SCHEMBL17115025 | 0.83 | ADRB1 (0.47) | RAB9ANPC1ADRB1SMN1; SMN2MAPT | |
| SCHEMBL17115053 | 0.83 | FAAH (0.48) | POLBADRB1HTR7HTR1AHTR2A | |
| SCHEMBL25435216 | 0.79 | GRM5 (0.53) | TP53MAPTGAATSHRMEN1 | |
| SCHEMBL30584787 | 0.79 | GRM5 (0.53) | TP53MAPTGAATSHRMEN1 | |
| SCHEMBL20116597 | 0.78 | MAPT (0.67) | RAB9ANPC1SMN1; SMN2TP53MAPT | |
| SCHEMBL30506255 | 0.78 | MAPT (0.67) | RAB9ANPC1SMN1; SMN2TP53MAPT | |
| SCHEMBL17115115 | 0.77 | KCNH2 (0.46) | TP53MAPTGAAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL20661124 | 0.77 | MAPT (0.66) | RAB9ANPC1SMN1; SMN2TP53MAPT |
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-105646492-A | Five-membered-aromatic-heterocycte-containing substituted xanthine compound and preparation method and use thereof | 中国医学科学院药物研究所 | 2016-06-08 | — | — | CN | disclosed |