Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | MAOA | P21397 | 4/20 | 0.60 |
| ▸ | MAOB | P27338 | 4/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | RORA | P35398 | 1/20 | 0.52 |
| ▸ | RORC | P51449 | 1/20 | 0.52 |
| ▸ | RORB | Q92753 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2216201 | 0.96 | MAOA (0.65) | CYP2D6MAOAMAOBACHEPGR | |
| Dimethylamine SCHEMBL28599047 | 0.91 | MAOA (0.60) | CYP2D6MAOAMAOBACHEPGR | |
| SCHEMBL17102952 | 0.91 | MAOA (0.68) | CYP2D6MAOAMAOBACHEPGR | |
| SCHEMBL8173126 | 0.90 | MAOA (0.70) | CYP2D6MAOAMAOBACHEPGR | |
| SCHEMBL17102956 | 0.90 | MAOA (0.70) | CYP2D6MAOAMAOBACHEPGR | |
| SCHEMBL8162588 | 0.90 | MAOA (0.70) | CYP2D6MAOAMAOBACHEPGR | |
| SCHEMBL17102941 | 0.90 | MAOA (0.70) | CYP2D6MAOAMAOBACHEPGR | |
| SCHEMBL2721051 | 0.86 | MAOA (0.59) | CYP2D6MAOAMAOBACHEPGR | |
| SCHEMBL17502355 | 0.86 | MAOA (0.78) | CYP2D6MAOAMAOBACHEHDAC6 | |
| SCHEMBL28596377 | 0.85 | CYP2D6 (0.62) | CYP2D6MAOAMAOBACHEHDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113416187-A | Alkylamine peganine derivatives for promoting bone growth | 奥斯特克有限公司 | 2021-09-21 | — | — | CN | disclosed |
| CN-105120863-B | Alkylamine peganine derivatives for promoting bone growth | 奥斯特克有限公司 | 2021-06-04 | — | — | CN | disclosed |