Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL28723318 | 1.00 | CES2 (0.47) | CES2CES1KMT2AALDH1A1MEN1 | |
| SCHEMBL31047697 | 0.81 | BCHE (0.56) | CES2CES1KMT2AALDH1A1MEN1 | |
| SCHEMBL28721465 | 0.78 | ALDH1A1 (0.45) | KMT2AALDH1A1MEN1SMN1; SMN2KDM4E | |
| SCHEMBL29612031 | 0.78 | ALDH1A1 (0.45) | KMT2AALDH1A1MEN1SMN1; SMN2KDM4E | |
| SCHEMBL28722564 | 0.77 | CYP1A2 (0.46) | CES2CES1KMT2AALDH1A1MEN1 | |
| SCHEMBL29612186 | 0.77 | CYP1A2 (0.46) | CES2CES1KMT2AALDH1A1MEN1 | |
| SCHEMBL28722307 | 0.76 | KMT2A (0.50) | CES2CES1KMT2AALDH1A1MEN1 | |
| SCHEMBL28720262 | 0.76 | ALDH1A1 (0.43) | CES2CES1KMT2AALDH1A1MEN1 | |
| SCHEMBL29612028 | 0.76 | ALDH1A1 (0.43) | CES2CES1KMT2AALDH1A1MEN1 | |
| SCHEMBL29612348 | 0.76 | KMT2A (0.50) | CES2CES1KMT2AALDH1A1MEN1 |
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-114380733-B | Chiral beta-amino acid derivative and preparation method thereof | 常州大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-114380733-A | Chiral beta-amino acid derivative and preparation method thereof | 常州大学 | 2022-04-22 | — | — | CN | disclosed |