Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23115290 | 1.00 | HTR2A (0.42) | HTR2ASLC22A1PRCPPLGMEN1 | |
| SCHEMBL23115293 | 1.00 | HTR2A (0.42) | HTR2ASLC22A1PRCPPLGMEN1 | |
| SCHEMBL30406856 | 1.00 | HTR2A (0.42) | HTR2ASLC22A1PRCPPLGMEN1 | |
| SCHEMBL23115291 | 0.82 | SLC22A1 (0.55) | HTR2ASLC22A1PRCPADRB2HTR2C | |
| SCHEMBL23115288 | 0.82 | SLC22A1 (0.55) | HTR2ASLC22A1PRCPADRB2HTR2C | |
| SCHEMBL23135179 | 0.82 | SLC22A1 (0.55) | HTR2ASLC22A1PRCPADRB2HTR2C | |
| SCHEMBL16591499 | 0.75 | PRCP (0.40) | SLC22A1PRCPMEN1ABL1ALPL | |
| SCHEMBL19427382 | 0.75 | PRCP (0.40) | SLC22A1PRCPMEN1ABL1ALPL | |
| SCHEMBL19427420 | 0.75 | DRD2 (0.55) | HTR2ASLC22A1PRCPMEN1ABL1 | |
| SCHEMBL2065898 | 0.75 | DRD2 (0.55) | HTR2ASLC22A1PRCPMEN1ABL1 |
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-110643650-B | Preparation method of (S) -1-benzyl-1, 2,3,4,5,6,7, 8-octahydroisoquinoline compound | 复旦大学 | 2023-03-07 | — | — | CN | disclosed |