Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 8/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.32 |
| ▸ | WNT3A | P56704 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.31 |
| ▸ | EPM2A | O95278 | 1/20 | 0.30 |
| ▸ | PTPRC | P08575 | 1/20 | 0.30 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.30 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.30 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9754578 | 0.99 | HTR1B (0.34) | HTR1BAURKARPS6KB1ALDH1A1CYP2D6 | |
| SCHEMBL9843700 | 0.83 | ALDH1A1 (0.33) | ALDH1A1CYP2D6HTTPDCD1CD274 | |
| Hydrochloric Acid SCHEMBL9754608 | 0.82 | HTT (0.35) | ALDH1A1CYP2D6HTT | |
| SCHEMBL9754590 | 0.81 | HTT (0.33) | ALDH1A1CYP2D6HTTPDCD1CD274 | |
| SCHEMBL9525920 | 0.80 | CYP1A2 (0.47) | ALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL9754610 | 0.80 | HTT (0.35) | ALDH1A1CYP2D6HTT | |
| SCHEMBL9754475 | 0.79 | CA12 (0.44) | HTR1BCYP2D6CTNNB1WNT3APTPN1 | |
| Hydrochloric Acid SCHEMBL9526903 | 0.79 | CYP1A2 (0.46) | ALDH1A1CYP2D6 | |
| SCHEMBL9754645 | 0.78 | SLC2A1 (0.35) | CTNNB1WNT3ACD274PTPN1 | |
| Hydrochloric Acid SCHEMBL9843630 | 0.77 | SLC2A1 (0.35) | CTNNB1WNT3ACD274 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991014688-A1 | HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-10-03 | — | — | WO | claimed |
| EP-0447703-A1 | Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-25 | — | — | EP | claimed |
| WO-1991014688-A1 | HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-10-03 | — | — | WO | disclosed |
| EP-0447703-A1 | Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-25 | — | — | EP | disclosed |