Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL14777636 | 0.98 | ALDH1A1 (0.38) | ALDH1A1MAPTKDM4EGAAHPGD | |
| Iodide SCHEMBL14778927 | 0.98 | ALDH1A1 (0.38) | ALDH1A1MAPTKDM4EGAAHPGD | |
| Hydrochloric Acid SCHEMBL14778159 | 0.98 | ALDH1A1 (0.38) | ALDH1A1MAPTKDM4EGAAHPGD | |
| SCHEMBL10978011 | 0.87 | DRD2 (0.40) | ALDH1A1MAPTKDM4EDRD2OPRM1 | |
| Hydrochloric Acid SCHEMBL14777891 | 0.85 | ALDH1A1 (0.35) | ALDH1A1MAPTKDM4EGAAHPGD | |
| Iodide SCHEMBL14777829 | 0.85 | ALDH1A1 (0.35) | ALDH1A1MAPTKDM4EGAAHPGD | |
| Iodide SCHEMBL14778346 | 0.84 | CES1 (0.36) | ALDH1A1MAPTKDM4EGAAHPGD | |
| Hydrochloric Acid SCHEMBL14777819 | 0.84 | CES1 (0.36) | ALDH1A1MAPTKDM4EGAAHPGD | |
| Iodide SCHEMBL14778471 | 0.84 | CES1 (0.36) | ALDH1A1MAPTKDM4EGAAHPGD | |
| Hydrochloric Acid SCHEMBL14778468 | 0.84 | CES1 (0.36) | ALDH1A1MAPTKDM4EGAAHPGD |
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-2017168451-A1 | DERIVATIVES OF IMIDAZOLE AND BENZIMIDAZOLE, METHOD OF PREPARATION AND USE THEREOF | SHIV NADAR UNIVERSITY (IN) | 2017-10-05 | — | — | WO | disclosed |