Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.42 |
| ▸ | CCR6 | P51684 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL168125 | 0.97 | KIF11 (0.47) | KIF11GRIN2BMAPTEPHX2LTA4H | |
| SCHEMBL27862141 | 0.97 | KIF11 (0.47) | KIF11GRIN2BMAPTEPHX2LTA4H | |
| Fluoride SCHEMBL28371495 | 0.94 | KIF11 (0.46) | KIF11GRIN2BMAPTEPHX2LTA4H | |
| SCHEMBL29087324 | 0.94 | KIF11 (0.46) | KIF11GRIN2BMAPTEPHX2LTA4H | |
| Hydrogen Sulfide SCHEMBL27539287 | 0.94 | KIF11 (0.46) | KIF11GRIN2BMAPTEPHX2LTA4H | |
| Ammonia Solution, Strong SCHEMBL2163079 | 0.94 | KIF11 (0.46) | KIF11GRIN2BMAPTEPHX2LTA4H | |
| SCHEMBL4036809 | 0.94 | KIF11 (0.46) | KIF11GRIN2BMAPTEPHX2LTA4H | |
| Water SCHEMBL27610464 | 0.94 | KIF11 (0.46) | KIF11GRIN2BMAPTEPHX2LTA4H | |
| Ethyne SCHEMBL28472442 | 0.92 | KIF11 (0.44) | KIF11GRIN2BMAPTEPHX2LTA4H | |
| Nitrogen SCHEMBL29122681 | 0.92 | KIF11 (0.44) | KIF11GRIN2BMAPTEPHX2LTA4H |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106565719-A | Hydrophobic OLED main material, preparing method and application | 北京大学深圳研究生院 | 2017-04-19 | — | — | CN | disclosed |
| EP-2034998-A1 | 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2008079427-A1 | 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-03 | — | — | WO | disclosed |