Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28523148 | 0.82 | CES2 (0.47) | MTNR1AMTNR1BMAPTNPC1RAB9A | |
| SCHEMBL28531019 | 0.78 | NFE2L2 (0.44) | MAPTNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28522876 | 0.77 | CYP1A2 (0.47) | MTNR1AMTNR1BMAPTNPC1RAB9A | |
| SCHEMBL28516841 | 0.76 | ACHE (0.52) | MAPTNPC1RAB9AALDH1A1HPGD | |
| SCHEMBL28523005 | 0.75 | HPGD (0.54) | USP2MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28516837 | 0.75 | MAPT (0.54) | MAPTNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28528084 | 0.75 | MTNR1A (0.53) | TSHRMTNR1AMTNR1BCES2CES1 | |
| SCHEMBL8698529 | 0.74 | PAX8 (0.43) | TSHRMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8943935 | 0.74 | PTGES (0.51) | PTGESHSD17B10MAPTALDH1A1HPGD | |
| SCHEMBL8943802 | 0.74 | PTGES (0.51) | PTGESHSD17B10MAPTNPC1RAB9A |
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 |