Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | CNKSR1 | Q969H4 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28903711 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EKMT2AHTR2A | |
| SCHEMBL28498473 | 0.81 | SMN1; SMN2 (0.42) | MTNR1APOLBGAAALDH1A1MAPT | |
| SCHEMBL28489446 | 0.80 | LSS (0.41) | ALDH1A1PDE4BPDE4CPDE4DKMT2A | |
| SCHEMBL28509156 | 0.80 | HTR7 (0.40) | POLBALDH1A1MAPTKDM4EPDE4B | |
| SCHEMBL28903731 | 0.80 | CA1 (0.43) | POLBGAAALDH1A1MAPTKDM4E | |
| SCHEMBL28498699 | 0.78 | POLB (0.46) | POLBALDH1A1CYP3A4KMT2ACYP1A2 | |
| SCHEMBL28496766 | 0.77 | MTNR1A (0.43) | MTNR1APOLBGAATARBP2NQO2 | |
| SCHEMBL28494985 | 0.77 | KMT2A (0.43) | POLBGAAALDH1A1MAPTKDM4E | |
| SCHEMBL28498453 | 0.76 | NQO2 (0.40) | MTNR1APOLBALDH1A1MAPTKDM4E | |
| SCHEMBL28904708 | 0.75 | CYP3A4 (0.63) | ALDH1A1KDM4EPDE4BPDE4CPDE4D |
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 |