Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 3/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL20177571 | 0.91 | EDNRB (0.38) | EDNRBNAAAASAH1KCNQ2RYR2 | |
| SCHEMBL20177810 | 0.85 | FPR1 (0.44) | EDNRBNAAAASAH1 | |
| SCHEMBL20177552 | 0.84 | EDNRB (0.40) | EDNRBMEN1KMT2ANAAAASAH1 | |
| SCHEMBL29434414 | 0.84 | KCNQ2 (0.43) | NAAAASAH1KCNQ2CA1CA2 | |
| SCHEMBL18106649 | 0.84 | KCNQ2 (0.43) | NAAAASAH1KCNQ2CA1CA2 | |
| SCHEMBL21173988 | 0.84 | KCNQ2 (0.43) | NAAAASAH1KCNQ2CA1CA2 | |
| SCHEMBL18579062 | 0.84 | KCNQ2 (0.43) | NAAAASAH1KCNQ2CA1CA2 | |
| SCHEMBL20177940 | 0.83 | FPR1 (0.47) | NAAAASAH1PKMHTTSMN1; SMN2 | |
| SCHEMBL20177684 | 0.79 | FPR2 (0.43) | NAAAASAH1KCNQ2PKMHTT | |
| SCHEMBL18579229 | 0.79 | FPR2 (0.43) | NAAAKCNQ2SMN1; SMN2TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |