Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | APP | P05067 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9743076 | 0.88 | APP (0.59) | CYP1A2CYP2A6APPKCNH2L3MBTL1 | |
| SCHEMBL17086858 | 0.87 | CYP1A2 (0.60) | CYP1A2CYP2A6APPKCNH2L3MBTL1 | |
| SCHEMBL17086882 | 0.87 | CYP1A2 (0.59) | CYP1A2CYP2A6APPKCNH2L3MBTL1 | |
| SCHEMBL5573799 | 0.83 | ASIC3 (0.53) | CYP1A2CYP2A6APPTDP1ASIC3 | |
| SCHEMBL2233702 | 0.83 | APP (0.53) | APPKCNH2CYP1A1CYP1B1NQO1 | |
| SCHEMBL9742321 | 0.83 | APP (0.53) | CYP1A2CYP2A6APPKCNH2SMN1; SMN2 | |
| SCHEMBL8961303 | 0.82 | NPC1 (0.43) | CYP1A2CYP2A6APPL3MBTL1LMNA | |
| SCHEMBL9128248 | 0.82 | NPC1 (0.43) | CYP1A2CYP2A6APPL3MBTL1LMNA | |
| SCHEMBL12348396 | 0.81 | APP (0.72) | APPKCNH2L3MBTL1SMN1; SMN2TDP1 | |
| SCHEMBL15014329 | 0.81 | APP (0.72) | APPKCNH2SMN1; SMN2ACACBNPC1 |
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-109734548-A | A kind of preparation method of the aryl alkynes of palladium chtalyst | 绍兴文理学院 | 2019-05-10 | — | — | CN | disclosed |