Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 14/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30168545 | 1.00 | TRPM8 (0.39) | TRPM8HDAC3HDAC1HDAC8NCOR2 | |
| SCHEMBL28615700 | 0.87 | ESR1 (0.39) | PRCP | |
| SCHEMBL30168543 | 0.87 | ESR1 (0.39) | PRCP | |
| SCHEMBL28616101 | 0.86 | ESR1 (0.42) | PRCP | |
| SCHEMBL30168542 | 0.86 | ESR1 (0.42) | PRCP | |
| SCHEMBL30101766 | 0.85 | TRPM8 (0.43) | TRPM8HDAC3HDAC1HDAC8NCOR2 | |
| SCHEMBL28632888 | 0.85 | PRCP (0.38) | HDAC3HDAC1HDAC8NCOR2PRCP | |
| SCHEMBL28630559 | 0.85 | TRPM8 (0.43) | TRPM8HDAC3HDAC1HDAC8NCOR2 | |
| SCHEMBL30168540 | 0.85 | PRCP (0.38) | HDAC3HDAC1HDAC8NCOR2PRCP | |
| SCHEMBL30168541 | 0.84 | PRCP (0.38) | KDM4EPRCP |
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-113307769-B | 1-alkynyl tetrahydroisoquinoline compound and preparation method thereof | 长江师范学院 | 2023-03-03 | — | — | CN | disclosed |
| CN-113307769-A | 1-alkynyl tetrahydroisoquinoline compound and preparation method thereof | 长江师范学院 | 2021-08-27 | — | — | CN | disclosed |