Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT2B7 | P16662 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GRM8 | O00222 | 1/20 | 0.36 |
| ▸ | GRM6 | O15303 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29279726 | 1.00 | UGT2B7 (0.44) | UGT2B7MEN1KMT2AALOX15ALOX12 | |
| SCHEMBL17301168 | 0.87 | HSP90AB1 (0.43) | UGT2B7MEN1KMT2AALOX15ALOX12 | |
| SCHEMBL15238543 | 0.84 | UGT2B7 (0.41) | UGT2B7MEN1KMT2AALOX15ALOX12 | |
| SCHEMBL9345918 | 0.80 | AKR1C3 (0.51) | MEN1KMT2AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9853831 | 0.79 | HSD17B10 (0.58) | UGT2B7MEN1KMT2AALOX15ALDH1A1 | |
| SCHEMBL9350089 | 0.79 | AKR1C3 (0.36) | MEN1KMT2AALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL13144265 | 0.79 | ALDH1A1 (0.47) | MEN1KMT2AALOX15ALDH1A1HSD17B10 | |
| SCHEMBL14381820 | 0.72 | KDM4E (0.61) | MEN1KMT2AALOX15ALDH1A1CYP2C9 | |
| SCHEMBL1516779 | 0.72 | RXRB (0.44) | UGT2B7MEN1KMT2AALDH1A1CYP2D6 | |
| SCHEMBL1262317 | 0.71 | MAPT (0.48) | KMT2ANOS3NOS1ALDH1A1TDP1 |
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-108752212-B | 9-decarboxylated rosmarinic acid analogue and synthetic method and application thereof | 北京大学 | 2024-03-12 | — | — | CN | disclosed |