Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | BPTF | Q12830 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.37 |
| ▸ | WNT3A | P56704 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21396909 | 0.92 | ACACB (0.41) | HTR1ADRD2DRD3SIGMAR1ADRA2A | |
| SCHEMBL21397332 | 0.85 | ACACB (0.38) | HTR1ADRD2DRD3SIGMAR1ADRA2A | |
| SCHEMBL25081138 | 0.84 | BPTF (0.51) | HTR1ADRD2DRD3SIGMAR1ADRA2A | |
| SCHEMBL31536935 | 0.84 | BPTF (0.51) | HTR1ADRD2DRD3SIGMAR1ADRA2A | |
| SCHEMBL21396908 | 0.82 | DRD2 (0.53) | HTR1ADRD2DRD3SIGMAR1ADRA2A | |
| SCHEMBL21397183 | 0.78 | ALDH1A1 (0.44) | HTR1ADRD2DRD3SIGMAR1ADRA2A | |
| Hydrochloric Acid SCHEMBL21381361 | 0.77 | ALDH1A1 (0.43) | HTR1ADRD2DRD3SIGMAR1ADRA2A | |
| SCHEMBL7526307 | 0.76 | ADRB1 (0.45) | HTR1ADRD3SIGMAR1SLC6A4NOTUM | |
| SCHEMBL4949696 | 0.76 | CYP2D6 (0.45) | HTR1ADRD2DRD3SIGMAR1ADRA2A | |
| SCHEMBL21397177 | 0.74 | DRD2 (0.46) | DRD2ACACB |
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-2019179362-A1 | AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-09-26 | — | — | WO | disclosed |