Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.50 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28528084 | 0.87 | MTNR1A (0.53) | TP53MTNR1AMTNR1BKMT2A | |
| SCHEMBL28523005 | 0.85 | HPGD (0.54) | BCL2A1TP53MAPTNPC1RAB9A | |
| SCHEMBL28523148 | 0.83 | CES2 (0.47) | TP53MAPTMTNR1AMTNR1BNPC1 | |
| SCHEMBL28522876 | 0.80 | CYP1A2 (0.47) | MAPTPOLBMTNR1AMTNR1BNPC1 | |
| SCHEMBL28516841 | 0.77 | ACHE (0.52) | TP53RELAMAPTNPC1RAB9A | |
| SCHEMBL28516837 | 0.76 | MAPT (0.54) | TP53THRBMAPTPOLBNPC1 | |
| SCHEMBL28531019 | 0.76 | NFE2L2 (0.44) | TP53MAPTPOLBNPC1RAB9A | |
| SCHEMBL17602063 | 0.74 | RELA (0.50) | BCL2A1CLK1CLK2TP53RELA | |
| SCHEMBL6295707 | 0.73 | KDM4E (0.52) | BCL2A1CLK1CLK2TP53THRB | |
| SCHEMBL28522680 | 0.72 | CYP1A1 (0.48) | TP53THRBMAPTLMNA |
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 |