Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.56 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.56 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ACE | P12821 | 6/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CPA1 | P15085 | 1/20 | 0.44 |
| ▸ | CPA3 | P15088 | 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 | |
|---|---|---|---|---|
| SCHEMBL29652015 | 0.85 | MEN1 (0.59) | CYP1A2ACENPC1RAB9ACYP3A4 | |
| SCHEMBL883357 | 0.81 | SLC1A3 (0.63) | SLC1A3SLC1A2SLC1A1CYP1A2ACE | |
| SCHEMBL5511480 | 0.81 | SLC1A3 (0.63) | SLC1A3SLC1A2SLC1A1CYP1A2ACE | |
| (2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL2919214 | 0.80 | SLC1A3 (0.73) | SLC1A3SLC1A2SLC1A1CYP1A2ACE | |
| (2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL305323 | 0.80 | SLC1A3 (0.73) | SLC1A3SLC1A2SLC1A1CYP1A2ACE | |
| (2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL7289849 | 0.80 | SLC1A3 (0.73) | SLC1A3SLC1A2SLC1A1CYP1A2ACE | |
| (2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL4755513 | 0.80 | SLC1A3 (0.73) | SLC1A3SLC1A2SLC1A1CYP1A2ACE | |
| SCHEMBL24252143 | 0.79 | SLC1A3 (0.61) | SLC1A3SLC1A2SLC1A1CYP1A2ACE | |
| SCHEMBL7415792 | 0.79 | SLC1A3 (0.61) | SLC1A3SLC1A2SLC1A1CYP1A2ACE | |
| SCHEMBL7433034 | 0.79 | SLC1A3 (0.61) | SLC1A3SLC1A2SLC1A1CYP1A2ACE |
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-114516814-B | Catalytic asymmetric preparation method of chiral quaternary carbon alpha-amino acid ester compound | 中国科学院大连化学物理研究所 | 2024-02-20 | — | — | CN | disclosed |
| CN-114516814-A | Catalytic asymmetric preparation method of chiral quaternary carbon alpha-amino acid ester compound | 中国科学院大连化学物理研究所 | 2022-05-20 | — | — | CN | disclosed |