Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754587 | 0.90 | CYP2A6 (0.54) | CYP2A6PAX8NFKB1MAOAMAOB | |
| SCHEMBL8715997 | 0.80 | CYP2A6 (0.50) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL9754623 | 0.78 | CYP2A6 (0.65) | CYP2A6PAX8NFKB1MAOAMAOB | |
| SCHEMBL9754586 | 0.72 | MAOA (0.52) | PAX8NFKB1MAOAMAOBALDH1A1 | |
| SCHEMBL1420897 | 0.72 | MAPT (0.53) | CYP2A6MAOAALDH1A1HPGDKDM4E | |
| SCHEMBL11764173 | 0.71 | TDP1 (0.47) | CYP2A6PAX8MAOAALDH1A1HPGD | |
| SCHEMBL719619 | 0.71 | CYP2A6 (1.00) | CYP2A6NFKB1MAOAALDH1A1KDM4E | |
| SCHEMBL9754557 | 0.70 | CA12 (0.39) | CYP2A6PAX8NFKB1MAOAMAOB | |
| SCHEMBL1697399 | 0.68 | CYP2A6 (0.47) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL1784133 | 0.68 | MAOA (0.62) | MAOAALDH1A1HPGDKDM4EHSD17B10 |
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 |