Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL20910187 | 0.85 | DRD2 (0.59) | DRD2DRD4DRD3DRD1HTR7 | |
| SCHEMBL14922881 | 0.85 | DRD2 (0.68) | DRD2DRD4DRD3DRD1 | |
| SCHEMBL22547374 | 0.78 | DRD2 (0.46) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL3468194 | 0.78 | DRD2 (0.46) | DRD2DRD4DRD3DRD1SIGMAR1 | |
| SCHEMBL11462012 | 0.78 | DRD2 (0.50) | DRD2DRD4DRD3DRD1HTR2A | |
| SCHEMBL9354984 | 0.78 | DRD2 (0.74) | DRD2DRD4DRD3DRD1ACHE | |
| SCHEMBL29507943 | 0.78 | DRD2 (0.46) | DRD2DRD4DRD3DRD1SIGMAR1 | |
| SCHEMBL1640115 | 0.78 | DRD2 (0.46) | DRD2DRD4DRD3DRD1SIGMAR1 | |
| SCHEMBL3466615 | 0.78 | DRD2 (0.46) | DRD2DRD4DRD3DRD1SIGMAR1 | |
| SCHEMBL8689191 | 0.76 | DRD3 (0.66) | DRD2DRD4DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021254389-A1 | PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2021-12-23 | — | — | WO | disclosed |
| WO-2021003314-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-01-07 | — | — | WO | disclosed |
| WO-2019074979-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | GIRAFPHARMA, LLC (US) | 2019-04-18 | — | — | WO | disclosed |