Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.62 |
| ▸ | HTR1A | P08908 | 4/20 | 0.62 |
| ▸ | HTR2A | P28223 | 4/20 | 0.62 |
| ▸ | DRD1 | P21728 | 2/20 | 0.62 |
| ▸ | DRD4 | P21917 | 2/20 | 0.62 |
| ▸ | DRD5 | P21918 | 2/20 | 0.62 |
| ▸ | HTR2C | P28335 | 2/20 | 0.62 |
| ▸ | DRD3 | P35462 | 2/20 | 0.62 |
| ▸ | HTR2B | P41595 | 2/20 | 0.62 |
| ▸ | MAOA | P21397 | 2/20 | 0.62 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | MLNR | O43193 | 1/20 | 0.62 |
| ▸ | HTR3B | O95264 | 1/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | ESR1 | P03372 | 1/20 | 0.62 |
| ▸ | PGR | P06401 | 1/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL30728639 | 1.00 | DRD2 (0.62) | DRD2HTR1AHTR2ADRD1DRD4 | |
| SCHEMBL30728651 | 0.97 | DRD2 (0.61) | DRD2HTR1AHTR2ADRD1DRD4 | |
| SCHEMBL23409242 | 0.97 | DRD2 (0.61) | DRD2HTR1AHTR2ADRD1DRD4 | |
| SCHEMBL18823408 | 0.87 | DRD2 (0.54) | DRD2HTR1AHTR2ADRD1DRD4 | |
| SCHEMBL18823411 | 0.85 | DRD2 (0.55) | DRD2HTR1AHTR2ADRD1DRD4 | |
| SCHEMBL23409975 | 0.82 | DRD2 (0.53) | DRD2HTR1AHTR2ADRD1DRD4 | |
| SCHEMBL18823412 | 0.82 | MCHR1 (0.57) | DRD2DRD4DRD3 | |
| SCHEMBL23409239 | 0.82 | DRD2 (0.61) | DRD2HTR1AHTR2ADRD1DRD4 | |
| SCHEMBL30728647 | 0.82 | DRD2 (0.61) | DRD2HTR1AHTR2ADRD1DRD4 | |
| SCHEMBL11929077 | 0.81 | DRD2 (0.70) | DRD2HTR1AHTR2ADRD1DRD4 |
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-114728956-B | Fused heterocyclic derivative and application thereof | 上海枢境生物科技有限公司 | 2024-01-12 | — | — | CN | disclosed |
| WO-2021098737-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | 上海枢境生物科技有限公司 | 2021-05-27 | — | — | WO | disclosed |