Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.69 |
| ▸ | MEN1 | O00255 | 5/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.69 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | PKM | P14618 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | NPY1R | P25929 | 1/20 | 0.69 |
| ▸ | NPY2R | P49146 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | RECQL | P46063 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28353461 | 0.89 | KMT2A (0.60) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 | |
| SCHEMBL28883456 | 0.89 | SMN1; SMN2 (0.65) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 | |
| SCHEMBL28354083 | 0.88 | KMT2A (0.57) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 | |
| SCHEMBL28353863 | 0.88 | KMT2A (0.66) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 | |
| SCHEMBL28357255 | 0.87 | KMT2A (0.51) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 | |
| SCHEMBL28353880 | 0.86 | COMT (0.58) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 | |
| SCHEMBL28353688 | 0.86 | KMT2A (0.57) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 | |
| SCHEMBL28357267 | 0.86 | MAPT (0.57) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 | |
| SCHEMBL28357370 | 0.83 | MEN1 (0.77) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 | |
| SCHEMBL28353567 | 0.83 | SMN1; SMN2 (0.60) | KMT2AMEN1SMN1; SMN2NTSR1ALDH1A1 |
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-110615766-A | Disubstituted alpha, beta unsaturated ketone, preparation method and application thereof | 长治学院 | 2019-12-27 | — | — | CN | claimed |
| CN-110615766-B | Disubstituted alpha, beta unsaturated ketone, preparation method and application thereof | 长治学院 | 2021-04-20 | — | — | CN | disclosed |
| CN-110615766-A | Disubstituted alpha, beta unsaturated ketone, preparation method and application thereof | 长治学院 | 2019-12-27 | — | — | CN | disclosed |