Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 6/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.37 |
| ▸ | WNT3A | P56704 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL1116496 | 0.79 | CA12 (0.55) | CA12CA2CA3CA4CA6 | |
| SCHEMBL9754594 | 0.79 | HTR1B (0.35) | HTR1BCTNNB1WNT3ACYP2D6PTPN1 | |
| Hydrochloric Acid SCHEMBL9754578 | 0.78 | HTR1B (0.34) | HTR1BCTNNB1WNT3ACYP2D6PTPN1 | |
| SCHEMBL9754557 | 0.78 | CA12 (0.39) | CA12CA2CA3CA4CA6 | |
| SCHEMBL4328740 | 0.76 | HTR1B (0.53) | CA12CA2CA3CA4CA6 | |
| SCHEMBL9754569 | 0.75 | AHR (0.52) | CTNNB1WNT3ACYP2D6CYP2C19KDM4E | |
| SCHEMBL9754537 | 0.75 | PIM1 (0.62) | CA12CA2CA3CA4CA6 | |
| SCHEMBL9754521 | 0.74 | CA12 (0.39) | CA12CA2CA3CA4CA6 | |
| SCHEMBL2966131 | 0.73 | CYP1A2 (0.60) | CA12CA2CA3CA4CA6 | |
| SCHEMBL9754480 | 0.73 | CTNNB1 (0.37) | CTNNB1WNT3ACYP2D6CYP2C19KDM4E |
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 |