Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28570983 | 1.00 | KMT2A (0.65) | KMT2ACA1CA2MEN1MAPT | |
| SCHEMBL27939672 | 1.00 | KMT2A (0.65) | KMT2ACA1CA2MEN1MAPT | |
| SCHEMBL4250581 | 0.89 | KMT2A (0.58) | KMT2AMEN1MAPTL3MBTL1ALDH2 | |
| SCHEMBL9480121 | 0.86 | KMT2A (0.54) | KMT2AMEN1MAPTL3MBTL1ALDH2 | |
| SCHEMBL4261434 | 0.86 | MEN1 (0.71) | KMT2ACA1CA2MEN1MAPT | |
| SCHEMBL9063033 | 0.83 | CYP1A2 (0.59) | KMT2AMEN1MAPTL3MBTL1ALDH2 | |
| SCHEMBL2234094 | 0.83 | KMT2A (0.71) | KMT2ACA1CA2MEN1MAPK1 | |
| SCHEMBL11402555 | 0.83 | TAS1R3 (0.65) | KMT2AMEN1MAPTL3MBTL1ALDH2 | |
| SCHEMBL839599 | 0.83 | CYP1A2 (0.55) | KMT2AMEN1MAPTL3MBTL1MAPK1 | |
| SCHEMBL16728392 | 0.83 | TAS1R3 (0.65) | KMT2AMEN1MAPTL3MBTL1ALDH2 |
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-112778154-B | Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-112778154-A | Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-05-11 | — | — | CN | disclosed |