Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.74 |
| ▸ | FDPS | P14324 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 2/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.54 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5221865 | 0.96 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2FDPSMAPTMEN1 | |
| SCHEMBL28653547 | 0.86 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2FDPSMAPTMEN1 | |
| SCHEMBL161066 | 0.86 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2FDPSMAPTMEN1 | |
| SCHEMBL20463442 | 0.85 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2FDPSMAPTMEN1 | |
| SCHEMBL28662837 | 0.85 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2FDPSMAPTMEN1 | |
| SCHEMBL1414062 | 0.85 | HTR1A (0.55) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL2699064 | 0.85 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2FDPSMAPTMEN1 | |
| SCHEMBL6687219 | 0.83 | MAOB (0.66) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL28586185 | 0.83 | NPC1 (0.78) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL2839320 | 0.83 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2FDPSMAPTMEN1 |
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-109651365-B | 3-methylpyrido [1,2-a ] pyrimidone derivative containing 1- ((4-substituted benzyl) oxy) and application thereof | 贵州大学 | 2021-11-16 | — | — | CN | disclosed |
| WO-2004087125-A1 | AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS | IONIX PHARMACEUTICALS LIMITED (GB) | 2004-10-14 | — | — | WO | disclosed |