Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 3/20 | 0.47 |
| ▸ | VDR | P11473 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 2/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | LDHB | P07195 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28524107 | 0.89 | RAB9A (0.53) | TP53MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL840978 | 0.86 | LDHB (0.50) | PDE2AMEN1KMT2ARAB9ALDHA | |
| SCHEMBL28518655 | 0.85 | GAA (0.56) | MAPTMEN1KMT2AALDH1A1MAOB | |
| SCHEMBL28987201 | 0.84 | ALDH1A1 (0.52) | VDRTP53MAPTMEN1KMT2A | |
| SCHEMBL28908703 | 0.83 | ALDH1A1 (0.55) | TP53MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL28522245 | 0.82 | CA12 (0.53) | TP53MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL28525496 | 0.82 | ALDH1A1 (0.49) | MAPTMEN1KMT2AALDH1A1MAOB | |
| SCHEMBL28529501 | 0.81 | ALDH1A1 (0.60) | MAPTMEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL2482095 | 0.81 | ALDH1A1 (0.56) | TP53MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL29036184 | 0.80 | VDR (0.62) | VDRTP53MAPTMEN1KMT2A |
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 |