Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CASP3 | P42574 | 3/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
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 | 0.86 | CES2 (0.47) | CYP1A2MTNR1AMTNR1BNPC1RAB9A | |
| SCHEMBL28528084 | 0.84 | MTNR1A (0.53) | MTNR1AMTNR1BKMT2A | |
| SCHEMBL28907335 | 0.80 | BCL2A1 (0.50) | MTNR1AMTNR1BNPC1RAB9AMEN1 | |
| SCHEMBL28516841 | 0.80 | ACHE (0.52) | NPC1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL28516837 | 0.78 | MAPT (0.54) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL28523005 | 0.78 | HPGD (0.54) | NPC1RAB9AMEN1KMT2ATDP1 | |
| SCHEMBL28531019 | 0.78 | NFE2L2 (0.44) | CYP1A2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28530756 | 0.77 | PTGES (0.43) | CYP1A2MTNR1AMTNR1BNPC1RAB9A | |
| SCHEMBL2532580 | 0.75 | MEN1 (0.47) | CYP1A2MTNR1AMTNR1BNPC1RAB9A | |
| SCHEMBL28522680 | 0.75 | CYP1A1 (0.48) | LMNAKDM4EMAPT |
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 |