Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.44 |
| ▸ | CHRNG | P07510 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4612699 | 0.83 | NPSR1 (0.50) | CES2CES1PDE4APDE4BPDE4C | |
| SCHEMBL2563329 | 0.81 | FAAH (0.44) | NPC1RAB9APARP1MAPTALDH1A1 | |
| SCHEMBL29172164 | 0.80 | ALDH1A1 (0.42) | NPC1RAB9APARP1MAPTALDH1A1 | |
| SCHEMBL586754 | 0.77 | NPC1 (0.49) | NPC1RAB9AMAPTALDH1A1NPSR1 | |
| Benzene SCHEMBL28160719 | 0.77 | NPC1 (0.49) | NPC1RAB9AMAPTALDH1A1NPSR1 | |
| SCHEMBL3210075 | 0.75 | NPC1 (0.50) | NPC1RAB9AMAPTALDH1A1NPSR1 | |
| SCHEMBL29090508 | 0.73 | NPC1 (0.42) | CES2CES1NPC1RAB9APRSS1 | |
| SCHEMBL3469070 | 0.72 | OPRM1 (0.50) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL2565240 | 0.71 | NPC1 (0.42) | NPC1RAB9AMAPTALDH1A1NPSR1 | |
| SCHEMBL8519777 | 0.70 | PRSS1 (0.62) | CES2CES1PDE4APDE4BPDE4C |
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-116903494-A | Preparation method of alpha-alkyl nitrile derivative and alpha-alkenyl nitrile derivative | 浙江工业大学 | 2023-10-20 | — | — | CN | disclosed |