Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3024397 | 0.91 | MAPT (0.53) | CYP1A2GAAADRA2AADRA2BADRA2C | |
| SCHEMBL116229 | 0.91 | MAPT (0.53) | CYP1A2GAAADRA2AADRA2BADRA2C | |
| Methane SCHEMBL28159882 | 0.89 | MAPT (0.52) | CYP1A2GAAADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL8872527 | 0.89 | ADRA2A (0.54) | CYP1A2GAAADRA2AADRA2BADRA2C | |
| Phosphoric Acid SCHEMBL8529442 | 0.86 | ADRA2A (0.50) | CYP1A2GAAADRA2AADRA2BADRA2C | |
| Cadaverine Tartrate SCHEMBL28598769 | 0.83 | ADRA2A (0.45) | CYP1A2GAAADRA2AADRA2BADRA2C | |
| Cadaverine Tartrate SCHEMBL28586029 | 0.83 | ADRA2A (0.45) | CYP1A2GAAADRA2AADRA2BADRA2C | |
| Phosphoric Acid SCHEMBL9079479 | 0.83 | ADRA2A (0.47) | CYP1A2GAAADRA2AADRA2BADRA2C | |
| SCHEMBL6163873 | 0.76 | CYP1A2 (0.58) | CYP1A2GAAADRA2AADRA2BADRA2C | |
| SCHEMBL19461607 | 0.76 | MAPT (0.71) | CYP1A2GAACYP2C19MAPTLMNA |
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-103880862-B | The inhibitor of hepatitis c viral replication | 默沙东公司 | 2018-09-25 | — | — | CN | disclosed |