Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | UBE2N | P61088 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31261492 | 0.86 | CYP2C9 (0.76) | CYP2C9KMT2AMEN1GAAPOLB | |
| SCHEMBL29826882 | 0.86 | CYP2C9 (0.76) | CYP2C9KMT2AMEN1GAAPOLB | |
| SCHEMBL28662399 | 0.86 | CYP2C9 (0.76) | CYP2C9KMT2AMEN1GAAPOLB | |
| SCHEMBL2221815 | 0.85 | CYP2C9 (0.73) | CYP2C9KMT2AMEN1GAAPOLB | |
| SCHEMBL359785 | 0.83 | KMT2A (0.71) | CYP2C9KMT2AMEN1GAAPOLB | |
| SCHEMBL31054400 | 0.81 | CYP2C9 (0.69) | CYP2C9KMT2AMEN1GAAPOLB | |
| SCHEMBL518604 | 0.81 | KMT2A (0.67) | CYP2C9KMT2AMEN1GAAPOLB | |
| SCHEMBL11397324 | 0.79 | GAA (0.72) | CYP2C9KMT2AMEN1GAAPOLB | |
| SCHEMBL2221528 | 0.79 | CYP2C9 (0.63) | CYP2C9KMT2AMEN1GAAPOLB | |
| SCHEMBL9594109 | 0.78 | CYP2C9 (0.64) | CYP2C9KMT2AMEN1GAAPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113620873-B | Preparation method and application of zinc-containing binding group and quinoline skeleton compound | 沈阳药科大学 | 2023-12-08 | — | — | CN | disclosed |
| CN-110467616-B | Preparation and application of triazolopyrazine compound containing heteroaryl substituted pyridazinone structure | 江西科技师范大学 | 2021-12-21 | — | — | CN | disclosed |
| CN-113620873-A | Preparation method and application of compound containing zinc binding group and quinoline skeleton | 沈阳药科大学 | 2021-11-09 | — | — | CN | disclosed |