Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 6/20 | 0.37 |
| ▸ | WNT3A | P56704 | 6/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754645 | 0.82 | SLC2A1 (0.35) | CTNNB1WNT3APTPN1KDM4E | |
| Hydrochloric Acid SCHEMBL9843630 | 0.81 | SLC2A1 (0.35) | CTNNB1WNT3A | |
| SCHEMBL9843481 | 0.75 | CYP2A6 (0.41) | CTNNB1WNT3APTPN1KDM4ECYP3A4 | |
| SCHEMBL9754544 | 0.75 | PIM1 (0.51) | PTPN1ALOX5KDM4EHSD17B10 | |
| SCHEMBL4164228 | 0.73 | SLC11A2 (0.53) | ALOX5KDM4ECYP2A6SLC11A2CHRM2 | |
| SCHEMBL9754475 | 0.73 | CA12 (0.44) | CTNNB1WNT3APTPN1KDM4ECYP3A4 | |
| SCHEMBL9754569 | 0.73 | AHR (0.52) | CTNNB1WNT3APTPN1KDM4ECYP3A4 | |
| SCHEMBL18996120 | 0.72 | ALOX5 (0.40) | PTPN1ALOX5KDM4ENFKB1MAOA | |
| SCHEMBL787256 | 0.72 | ALOX5 (0.59) | ALOX5KDM4ECYP3A4MAOACYP2C19 | |
| SCHEMBL9052025 | 0.71 | ALOX5 (0.41) | ALOX5KDM4EMAOAHSD17B10SLC11A2 |
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 2 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 | 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 |