Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.72 |
| ▸ | DRD4 | P21917 | 6/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 11/20 | 0.69 |
| ▸ | DRD3 | P35462 | 4/20 | 0.69 |
| ▸ | HRH1 | P35367 | 3/20 | 0.62 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | HTR3B | O95264 | 2/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.62 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.62 |
| ▸ | HTR1A | P08908 | 2/20 | 0.62 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.62 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.62 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.62 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.62 |
| ▸ | DRD1 | P21728 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28315489 | 0.86 | CHRM1 (0.67) | DRD2DRD4CHRM1DRD3HRH1 | |
| SCHEMBL14365315 | 0.85 | DRD4 (0.76) | DRD2DRD4CHRM1DRD3HRH1 | |
| SCHEMBL141020 | 0.84 | DRD2 (1.00) | DRD2DRD4CHRM1DRD3HRH1 | |
| SCHEMBL29470861 | 0.84 | DRD2 (1.00) | DRD2DRD4CHRM1DRD3HRH1 | |
| SCHEMBL5557955 | 0.83 | DRD2 (0.74) | DRD2DRD4CHRM1DRD3HRH1 | |
| Isoclozapine SCHEMBL29822724 | 0.81 | CHRM1 (1.00) | DRD2DRD4CHRM1DRD3HRH1 | |
| SCHEMBL9094636 | 0.81 | CHRM1 (1.00) | DRD2DRD4CHRM1DRD3HRH1 | |
| Isoclozapine SCHEMBL140207 | 0.81 | CHRM1 (1.00) | DRD2DRD4CHRM1DRD3HRH1 | |
| SCHEMBL21234807 | 0.80 | CHRM1 (0.78) | DRD2DRD4CHRM1DRD3HRH1 | |
| SCHEMBL5918366 | 0.80 | CHRM1 (1.00) | DRD2DRD4CHRM1DRD3HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110183387-A | Dibenzo diaza * ketone derivatives with anticancer activity and its preparation method and application | 新乡医学院 | 2019-08-30 | — | — | CN | disclosed |