Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28841763 | 0.85 | FAAH (0.49) | CYP19A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL1491624 | 0.83 | FAAH (0.47) | CYP19A1MAPTMEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL17707257 | 0.82 | FAAH (0.46) | CYP19A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL28986531 | 0.80 | FAAH (0.44) | EPHX2CYP19A1MEN1KMT2ALMNA | |
| SCHEMBL12520592 | 0.79 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1RAB9ANPC1MAPT | |
| SCHEMBL29766345 | 0.79 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1RAB9ANPC1MAPT | |
| Hydrochloric Acid SCHEMBL7306056 | 0.78 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1RAB9ANPC1MAPT | |
| SCHEMBL4411856 | 0.77 | SLC6A3 (0.46) | SMN1; SMN2ALDH1A1CYP19A1LMNAHTT | |
| SCHEMBL4411855 | 0.77 | SLC6A3 (0.46) | SMN1; SMN2ALDH1A1CYP19A1LMNAHTT | |
| SCHEMBL21059268 | 0.77 | NPC1 (0.61) | SMN1; SMN2ALDH1A1RAB9ANPC1EPHX2 |
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 |