Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28303172 | 1.00 | MEN1 (0.45) | MEN1KMT2AGRIN2BSIGMAR1OPRM1 | |
| SCHEMBL13587827 | 0.85 | CXCR4 (0.41) | MEN1KMT2AOPRM1OPRD1OPRK1 | |
| SCHEMBL14558528 | 0.81 | CXCR4 (0.40) | MEN1KMT2AOPRM1OPRD1OPRK1 | |
| SCHEMBL7309721 | 0.81 | CXCR4 (0.40) | MEN1KMT2AOPRM1OPRD1OPRK1 | |
| SCHEMBL29538070 | 0.79 | MEN1 (0.43) | MEN1KMT2AGRIN2BSIGMAR1OPRM1 | |
| SCHEMBL28303176 | 0.79 | OPRM1 (0.46) | MEN1KMT2AGRIN2BSIGMAR1OPRM1 | |
| SCHEMBL29538640 | 0.79 | OPRM1 (0.46) | MEN1KMT2AGRIN2BSIGMAR1OPRM1 | |
| SCHEMBL15701688 | 0.78 | NR1D1 (0.45) | MEN1KMT2AOPRM1OPRD1OPRK1 | |
| SCHEMBL15701679 | 0.78 | CXCR4 (0.46) | MEN1KMT2AOPRM1OPRD1OPRK1 | |
| SCHEMBL13337023 | 0.77 | CXCR4 (0.41) | MEN1KMT2AOPRM1OPRD1OPRK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109810057-B | Method for synthesizing chiral isoquinoline by palladium-catalyzed asymmetric C-H bond amine carbonylation | 中国科学院兰州化学物理研究所 | 2022-04-26 | — | — | CN | disclosed |