Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.61 |
| ▸ | MEN1 | O00255 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.61 |
| ▸ | TP53 | P04637 | 3/20 | 0.61 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.61 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.61 |
| ▸ | AR | P10275 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL29129547 | 0.97 | KMT2A (0.65) | KMT2ACYP3A4KDM4EMEN1LMNA | |
| SCHEMBL29129565 | 0.87 | MAPK14 (0.62) | KMT2ACYP3A4KDM4EMEN1LMNA | |
| SCHEMBL29129514 | 0.87 | TP53 (0.68) | KMT2ACYP3A4KDM4EMEN1LMNA | |
| SCHEMBL29129513 | 0.87 | RET (0.68) | KMT2ACYP3A4KDM4EMEN1LMNA | |
| SCHEMBL29129570 | 0.86 | KDM4E (0.50) | KMT2ACYP3A4KDM4EMEN1LMNA | |
| SCHEMBL29129511 | 0.83 | ABCG2 (0.74) | KMT2ACYP3A4KDM4EMEN1LMNA | |
| SCHEMBL29129592 | 0.83 | TP53 (0.49) | KMT2ACYP3A4KDM4EMEN1LMNA | |
| SCHEMBL28162855 | 0.81 | KMT2A (0.67) | KMT2ACYP3A4KDM4EMEN1LMNA | |
| SCHEMBL29129567 | 0.80 | GABRP (0.56) | KMT2ACYP3A4KDM4EMEN1LMNA | |
| SCHEMBL29129552 | 0.80 | GABRP (0.56) | KMT2ACYP3A4KDM4EMEN1LMNA |
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 |