Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.65 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.33 |
| ▸ | WNT3A | P56704 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8715997 | 0.81 | CYP2A6 (0.50) | CYP2A6KDM4EHSD17B10ALDH1A1POLB | |
| SCHEMBL719619 | 0.79 | CYP2A6 (1.00) | CYP2A6MAOAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL9754445 | 0.78 | CYP2A6 (0.54) | CYP2A6MAOAKDM4ECYP3A4NFKB1 | |
| SCHEMBL29951028 | 0.76 | CYP2A6 (0.71) | CYP2A6MAOAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL3789969 | 0.76 | CYP2A6 (0.71) | CYP2A6MAOAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL18595899 | 0.75 | CYP2A6 (0.46) | CYP2A6KDM4EHSD17B10DYRK1AALDH1A1 | |
| SCHEMBL9754569 | 0.75 | AHR (0.52) | CYP2A6MAOAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL9754587 | 0.74 | CYP2A6 (0.54) | CYP2A6MAOAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL9754502 | 0.74 | CYP2A6 (0.36) | CYP2A6ALDH1A1POLBNPC1ESR1 | |
| SCHEMBL1420897 | 0.73 | MAPT (0.53) | CYP2A6MAOAKDM4ECYP3A4CYP2D6 |
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 |