Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 3/20 | 0.33 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.33 |
| ▸ | CALML3 | P27482 | 3/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3328408 | 0.84 | CETP (0.44) | CETPKCNH2F10CALML3MAOA | |
| SCHEMBL13298961 | 0.84 | CETP (0.44) | CETPKCNH2F10CALML3MAOA | |
| SCHEMBL4948976 | 0.81 | MAOA (0.49) | MAOAMAOBCYP2C9CYP3A4 | |
| SCHEMBL3325901 | 0.79 | MAOA (0.42) | CETPKCNH2GRM5MAOAMAOB | |
| SCHEMBL3327665 | 0.73 | MAOA (0.48) | F10CALML3MAOAMAOB | |
| SCHEMBL3325938 | 0.70 | MAOA (0.52) | KCNH2MAOAMAOBCYP2C9CYP3A4 | |
| SCHEMBL3068397 | 0.69 | CALML3 (0.54) | CALML3MAOAMAOBCYP2C19CYP2C9 | |
| SCHEMBL3068395 | 0.69 | CALML3 (0.54) | CALML3MAOAMAOBCYP2C19CYP2C9 | |
| SCHEMBL3323576 | 0.69 | MAOA (0.49) | KCNH2CALML3MAOAMAOB | |
| SCHEMBL3323488 | 0.69 | CALML3 (0.60) | F10CALML3MAOAMAOBCYP2C19 |
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-1639136-A | Oxazolidinone and/or isoxazoline as antibacterial agents | ASTRAZENECA AB (SE) | 2005-07-13 | — | — | CN | disclosed |