Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.43 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29129594 | 0.82 | ABCG2 (0.44) | ABCG2DDR2SMN1; SMN2ABCC1CYP1B1 | |
| SCHEMBL29129512 | 0.82 | TTR (0.46) | ABCG2DDR2SMN1; SMN2ABCC1CYP1B1 | |
| SCHEMBL1534426 | 0.82 | ABCG2 (0.43) | ABCG2DDR2SMN1; SMN2ABCC1CYP1B1 | |
| SCHEMBL29129562 | 0.81 | ABCG2 (0.41) | ABCG2DDR2SMN1; SMN2ABCC1CYP1B1 | |
| SCHEMBL29129556 | 0.78 | MAOA (0.57) | ABCG2SMN1; SMN2ABCC1CYP1B1KDM4E | |
| SCHEMBL19846954 | 0.76 | SMN1; SMN2 (0.41) | ABCG2DDR2SMN1; SMN2ABCC1CYP1B1 | |
| SCHEMBL29129547 | 0.76 | KMT2A (0.65) | ABCG2DDR2SMN1; SMN2CYP1B1AR | |
| Hydrochloric Acid SCHEMBL28357420 | 0.75 | SMN1; SMN2 (0.40) | ABCG2DDR2SMN1; SMN2ABCC1CYP1B1 | |
| SCHEMBL8815403 | 0.74 | ATP1A1 (0.47) | SMN1; SMN2KDM4ECYP3A4CA1CA2 | |
| SCHEMBL29129508 | 0.73 | KMT2A (0.61) | ABCG2DDR2SMN1; SMN2CYP1B1AR |
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-117247370-A | Method for synthesizing thioflavonoids based on alkyne thiocarboxyl | 四川大学 | 2023-12-19 | — | — | CN | disclosed |