Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | EDNRA | P25101 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28489905 | 0.85 | PKM (0.49) | KMT2AMEN1GAAHPGDALDH1A1 | |
| SCHEMBL28493442 | 0.85 | KMT2A (0.49) | KMT2AMEN1GAAHPGDALDH1A1 | |
| SCHEMBL28497517 | 0.82 | MAPT (0.49) | KMT2AMEN1EDNRAGAAHPGD | |
| SCHEMBL28487989 | 0.82 | MAPT (0.54) | KMT2AMEN1GAAHPGDALDH1A1 | |
| SCHEMBL28489447 | 0.82 | MAPT (0.41) | KMT2AMEN1HPGDCYP19A1ALDH1A1 | |
| SCHEMBL28498454 | 0.77 | MAPT (0.43) | KMT2AMEN1GAAHPGD | |
| SCHEMBL28489359 | 0.76 | ALDH1A1 (0.56) | KMT2ACYP19A1ALDH1A1 | |
| SCHEMBL28498694 | 0.73 | CYP19A1 (0.45) | KMT2ACYP19A1ALDH1A1 | |
| SCHEMBL2846313 | 0.67 | ADRB3 (0.47) | KMT2AMEN1HPGDALDH1A1PKM | |
| SCHEMBL6323247 | 0.66 | CYP19A1 (0.58) | CYP19A1ALDH1A1 |
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-112110932-B | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2021-12-28 | — | — | CN | disclosed |
| CN-112110932-A | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2020-12-22 | — | — | CN | disclosed |