Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 18/20 | 0.59 |
| ▸ | HTR2A | P28223 | 9/20 | 0.59 |
| ▸ | HTR1A | P08908 | 7/20 | 0.59 |
| ▸ | DRD3 | P35462 | 6/20 | 0.59 |
| ▸ | DRD4 | P21917 | 5/20 | 0.59 |
| ▸ | HTR2B | P41595 | 3/20 | 0.59 |
| ▸ | DRD1 | P21728 | 3/20 | 0.59 |
| ▸ | HTR7 | P34969 | 2/20 | 0.59 |
| ▸ | HTR6 | P50406 | 2/20 | 0.59 |
| ▸ | DRD5 | P21918 | 2/20 | 0.59 |
| ▸ | HTR2C | P28335 | 2/20 | 0.59 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | MLNR | O43193 | 1/20 | 0.59 |
| ▸ | HTR3B | O95264 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.59 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL25003853 | 1.00 | DRD2 (0.59) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL25003004 | 0.95 | DRD2 (0.56) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL25003011 | 0.92 | DRD2 (0.49) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL25003629 | 0.91 | DRD2 (0.51) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL25003990 | 0.89 | DRD2 (0.49) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL25003992 | 0.86 | DRD2 (0.59) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL20147059 | 0.83 | DRD2 (0.57) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL25003982 | 0.82 | DRD2 (0.58) | DRD2HTR2AHTR1ADRD3DRD4 | |
| SCHEMBL25003989 | 0.82 | KCNH2 (0.52) | DRD2HTR2AHTR1ADRD3HTR7 | |
| SCHEMBL25003024 | 0.82 | DRD2 (0.68) | DRD2HTR2AHTR1ADRD3DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023011608-A1 | REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海枢境生物科技有限公司 | 2023-02-09 | — | — | WO | disclosed |