Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.53 |
| ▸ | DRD3 | P35462 | 5/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 4/20 | 0.49 |
| ▸ | BPTF | Q12830 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | 0.84 | ACACB (0.41) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL21397331 | 0.83 | DRD2 (0.50) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL21396903 | 0.82 | HTR1A (0.40) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL21397183 | 0.81 | ALDH1A1 (0.44) | DRD2DRD3HTR1AADRA2AADRA2C | |
| Hydrochloric Acid SCHEMBL21381361 | 0.80 | ALDH1A1 (0.43) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL25081138 | 0.76 | BPTF (0.51) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL31536935 | 0.76 | BPTF (0.51) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL15981859 | 0.74 | DRD2 (0.52) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL15981860 | 0.74 | DRD2 (0.52) | DRD2DRD3HTR1AADRA2AADRA2C | |
| SCHEMBL8124793 | 0.74 | ADRA1D (0.59) | HTR1AADRA1DADRA1AADRA1BLMNA |
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 |