Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | ACR | P10323 | 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 | |
|---|---|---|---|---|
| SCHEMBL26325451 | 1.00 | CES2 (0.53) | CES2CES1NPC1RAB9APTGS2 | |
| SCHEMBL26325448 | 0.89 | TSHR (0.48) | CES2CES1RAB9ANOS3ALDH1A1 | |
| SCHEMBL31285548 | 0.89 | TSHR (0.48) | CES2CES1RAB9ANOS3ALDH1A1 | |
| SCHEMBL11404995 | 0.86 | RAB9A (0.46) | CES2CES1NPC1RAB9APTGS2 | |
| SCHEMBL31601617 | 0.78 | CES2 (0.49) | CES2CES1NPC1RAB9ANOS3 | |
| SCHEMBL31601551 | 0.78 | CES2 (0.49) | CES2CES1NPC1RAB9ANOS3 | |
| SCHEMBL26325455 | 0.78 | NOS3 (0.57) | CES2CES1NPC1RAB9ANOS3 | |
| SCHEMBL10966244 | 0.77 | TSHR (0.41) | RAB9AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL11522894 | 0.77 | NOS3 (0.52) | CES2CES1NPC1RAB9APTGS2 | |
| SCHEMBL8815637 | 0.77 | NOS3 (0.52) | CES2CES1NPC1RAB9APTGS2 |
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-112279743-A | Synthesis method of chiral alpha-amino acid ester derivative | 中国科学院大连化学物理研究所 | 2021-01-29 | — | — | CN | disclosed |