Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA3 | P07451 | 3/20 | 0.39 |
| ▸ | CA6 | P23280 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754521 | 0.90 | CA12 (0.39) | CA12CA2CA3CA6CA7 | |
| SCHEMBL9843700 | 0.78 | ALDH1A1 (0.33) | PAX8ALDH1A1MEN1KMT2AMAOA | |
| SCHEMBL9754475 | 0.78 | CA12 (0.44) | CA12CA2CA3CA6CA7 | |
| Hydrochloric Acid SCHEMBL9754608 | 0.77 | HTT (0.35) | PAX8ALDH1A1MEN1KMT2AMAOA | |
| SCHEMBL9754470 | 0.75 | PIM1 (0.63) | CA12CA2CA3CA6CA7 | |
| SCHEMBL9754586 | 0.72 | MAOA (0.52) | PAX8ALDH1A1CYP3A4HPGDKDM4E | |
| SCHEMBL9754499 | 0.72 | PIM1 (0.58) | CA12CA2CA3CA6CA7 | |
| SCHEMBL2966131 | 0.72 | CYP1A2 (0.60) | CA12CA2CA3CA6CA7 | |
| SCHEMBL1116496 | 0.71 | CA12 (0.55) | CA12CA2CA3CA6CA7 | |
| SCHEMBL2961210 | 0.70 | NQO1 (0.45) | CA12CA2CA3CA6CA7 |
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 |