Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | PLAAT5 | Q96KN8 | 2/20 | 0.51 |
| ▸ | PLAAT4 | Q9UL19 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP3 | P08254 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28292807 | 0.82 | GAA (0.50) | GAAEPHX1ALDH1A1HPGD | |
| SCHEMBL2095490 | 0.80 | TAAR1 (0.69) | TAAR1NPC1RAB9AGAACA12 | |
| SCHEMBL28203595 | 0.79 | NPC1 (0.58) | TAAR1NPC1RAB9AGAACA12 | |
| SCHEMBL28277097 | 0.79 | TAAR1 (0.58) | TAAR1NPC1RAB9AGAACA12 | |
| SCHEMBL2095487 | 0.79 | NPC1 (0.58) | TAAR1NPC1RAB9AGAACA12 | |
| SCHEMBL28010694 | 0.79 | NPC1 (0.58) | TAAR1NPC1RAB9AGAACA12 | |
| SCHEMBL22282200 | 0.79 | NPC1 (0.58) | TAAR1NPC1RAB9AGAACA12 | |
| Benzyl Phenethylcarbamate SCHEMBL4287199 | 0.77 | LMNA (0.73) | TAAR1NPC1RAB9AGAACA12 | |
| SCHEMBL19387598 | 0.77 | NPC1 (0.56) | TAAR1NPC1RAB9AGAACA12 | |
| SCHEMBL158220 | 0.76 | HDAC3 (0.78) | TAAR1NPC1RAB9AGAACA12 |
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-104969406-A | Electrolyte solution for electrochemical device and electrochemical device | WAKO PURE CHEM IND LTD | 2015-10-07 | — | — | CN | disclosed |