Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | BLM | P54132 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Eugenol SCHEMBL9330421 | 0.81 | TRPM8 (0.67) | ALDH1A1KMT2AKDM4EL3MBTL1CYP3A4 | |
| SCHEMBL28767692 | 0.78 | TSHR (0.57) | TSHRBLMNPSR1BCHETYR | |
| SCHEMBL77463 | 0.78 | TSHR (0.58) | ALDH1A1TSHRBLMNPSR1KMT2A | |
| SCHEMBL85849 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TSHRBLMNPSR1KMT2A | |
| SCHEMBL5055339 | 0.75 | ALDH1A1 (0.58) | ALDH1A1NPSR1KMT2AGAAAKR1C3 | |
| SCHEMBL952648 | 0.74 | CASR (0.48) | ALDH1A1ACHEL3MBTL1GAAAKR1C3 | |
| SCHEMBL13198785 | 0.74 | ALDH1A1 (0.58) | ALDH1A1TSHRNPSR1L3MBTL1GAA | |
| SCHEMBL10710548 | 0.74 | IDO1 (0.50) | ALDH1A1TSHRNPSR1KMT2AACHE | |
| SCHEMBL20563424 | 0.73 | TSHR (0.65) | TSHRBLMNPSR1KMT2ABCHE | |
| SCHEMBL1595549 | 0.73 | TSHR (0.65) | TSHRBLMNPSR1KMT2ABCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466771-A | Green preparation method of alpha-aminonitrile | 山东达因海洋生物制药股份有限公司 | 2024-01-30 | — | — | CN | disclosed |