Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | GRB2 | P62993 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4176874 | 0.79 | HSD17B3 (0.76) | ALDH1A1KDM4ELMNAHSD17B10HSD17B3 | |
| SCHEMBL13435573 | 0.78 | KDM4E (0.61) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL30430934 | 0.75 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL8009545 | 0.75 | HSD17B3 (0.64) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL742927 | 0.73 | PIM1 (0.55) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL3874542 | 0.70 | KDM4E (1.00) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL29600967 | 0.70 | KDM4E (1.00) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL9329739 | 0.68 | MAOA (0.69) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL4215955 | 0.67 | HSD17B3 (0.75) | ALDH1A1KDM4ELMNAHSD17B10HSD17B3 | |
| SCHEMBL14041103 | 0.67 | NQO1 (0.68) | ALDH1A1KDM4ELMNAMAPTALOX15 |
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-118359572-B | Non-natural amino acid based on thiocoumarin, and preparation method and application thereof | 北京大学深圳研究生院 | 2024-12-13 | — | — | CN | disclosed |
| CN-118359572-A | Non-natural amino acid based on thiocoumarin, and preparation method and application thereof | 北京大学深圳研究生院 | 2024-07-19 | — | — | CN | disclosed |