Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 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 | |
|---|---|---|---|---|
| SCHEMBL28516841 | 0.93 | ACHE (0.52) | MAPTNPC1RAB9ATP53ALDH1A1 | |
| SCHEMBL28516837 | 0.91 | MAPT (0.54) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL28523005 | 0.91 | HPGD (0.54) | MAPTNPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28531019 | 0.91 | NFE2L2 (0.44) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL28522680 | 0.87 | CYP1A1 (0.48) | MAPTTP53KDM4E | |
| SCHEMBL28528084 | 0.87 | MTNR1A (0.53) | CES2CES1TP53MTNR1AMTNR1B | |
| SCHEMBL28522876 | 0.86 | CYP1A2 (0.47) | MAPTNPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL5315078 | 0.84 | CES2 (0.47) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL28907335 | 0.83 | BCL2A1 (0.50) | MAPTNPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28530756 | 0.82 | PTGES (0.43) | CES2CES1MAPTNPC1RAB9A |
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-112279743-B | Synthesis method of chiral alpha-amino acid ester derivative | 中国科学院大连化学物理研究所 | 2022-10-18 | — | — | CN | disclosed |
| 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 |