Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 10/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.55 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3266869 | 0.82 | UGT2B7 (0.61) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL2894556 | 0.80 | CYP2D6 (0.59) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6490271 | 0.80 | CYP2D6 (0.59) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6543395 | 0.80 | CYP2D6 (0.59) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL23023079 | 0.80 | CYP2D6 (0.59) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL20050149 | 0.80 | AOC3 (0.59) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL27523720 | 0.79 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL4017223 | 0.79 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL4945583 | 0.78 | SLC6A2 (0.62) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL10120474 | 0.78 | UGT2B7 (0.62) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 |
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-107722068-A | Three tooth aminophosphine ligands and its complex and its application in the asymmetric catalytic hydrogenation of ketone | 凯特立斯（深圳）科技有限公司 | 2018-02-23 | — | — | CN | disclosed |