Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | BLK | P51451 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | MGLL | Q99685 | 2/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9523344 | 0.89 | NPC1 (0.70) | NPC1RAB9AMAPTOPRK1HDAC3 | |
| SCHEMBL6067806 | 0.85 | NPC1 (0.64) | NPC1RAB9AMAPTOPRK1HDAC3 | |
| SCHEMBL11766069 | 0.85 | NPC1 (0.72) | NPC1RAB9AMAPTOPRK1MAOB | |
| SCHEMBL5223936 | 0.84 | KMT2A (0.62) | NPC1RAB9AHDAC3HDAC1HDAC2 | |
| SCHEMBL8251885 | 0.84 | RAB9A (0.55) | NPC1RAB9AMAPTHDAC3HDAC1 | |
| SCHEMBL4201821 | 0.84 | NPC1 (0.66) | NPC1RAB9AMAPTOPRK1HDAC3 | |
| SCHEMBL27736442 | 0.83 | NPC1 (0.65) | NPC1RAB9AMAPTOPRK1BLK | |
| SCHEMBL10876647 | 0.83 | NLRP3 (0.60) | HDAC3HDAC1HDAC2SMN1; SMN2ALDH1A1 | |
| SCHEMBL5853278 | 0.83 | NPC1 (1.00) | NPC1RAB9AMAPTMAOBMGLL | |
| SCHEMBL3792308 | 0.83 | MGLL (0.54) | NPC1RAB9AMAPTHDAC3HDAC1 |
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-108026026-A | Beta-amino acids and analog and its application as the β-substituted of chemotherapeutics | 夸德里加生物科学公司 | 2018-05-11 | — | — | CN | disclosed |