Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | GUSB | P08236 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28031138 | 0.88 | CYP1A2 (0.40) | CYP1A2CYP2D6IDO1TDO2IDO2 | |
| SCHEMBL28031119 | 0.81 | SMN1; SMN2 (0.35) | GPR3NPC1RAB9AHTTKDM4E | |
| SCHEMBL28031126 | 0.77 | PTGES (0.36) | CYP1A2MEN1ALDH1A1POLBMAPT | |
| SCHEMBL28031123 | 0.70 | KDM4E (0.36) | GPR3NPC1RAB9AHTTKDM4E | |
| SCHEMBL28031748 | 0.69 | GPR3 (0.40) | CYP1A2IDO1TDO2IDO2GPR3 | |
| SCHEMBL29156674 | 0.69 | MAOA (0.41) | CYP1A2CYP2D6IDO1TDO2IDO2 | |
| SCHEMBL28031133 | 0.68 | GPR3 (0.45) | TDO2IDO2MAOAGPR3NPC1 | |
| SCHEMBL28031751 | 0.68 | GPR3 (0.38) | CYP1A2GPR3HTTKDM4EMEN1 | |
| SCHEMBL28031122 | 0.67 | GPR3 (0.40) | CYP1A2NR1I3GPR3LMNAHPGD | |
| SCHEMBL28031743 | 0.67 | MAT2A (0.40) | GPR3RAB9AMEN1KMT2ALMNA |
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-104844651-A | Method for preparing six fluorine phosphonic acid ester base fe organism derivatives | UNIV LUOYANG NORMAL | 2015-08-19 | — | — | CN | disclosed |