Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 4/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | RAC1 | P63000 | 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 | |
|---|---|---|---|---|
| SCHEMBL20778161 | 0.84 | PNMT (0.44) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL19453936 | 0.79 | DRD2 (0.45) | DRD2 | |
| SCHEMBL19667668 | 0.79 | DRD2 (0.45) | DRD2 | |
| SCHEMBL30207819 | 0.79 | DRD2 (0.45) | DRD2 | |
| SCHEMBL23036790 | 0.75 | EGLN1 (0.44) | DRD2DRD1RAC1 | |
| Hydrochloric Acid SCHEMBL9385979 | 0.72 | KDM4E (0.46) | DRD2DRD1 | |
| SCHEMBL11742195 | 0.71 | PNMT (0.47) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL19453935 | 0.69 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL19684561 | 0.69 | PNMT (0.42) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL4014450 | 0.69 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2CDRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116731064-A | Tricyclic tetrahydroisoquinoline derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-114746424-B | Tricyclic tetrahydroisoquinoline derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-06-16 | — | — | CN | disclosed |
| CN-114746424-A | Tricyclic tetrahydro isoquinoline derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-07-12 | — | — | CN | disclosed |