Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | FPR1 | P21462 | 7/20 | 0.42 |
| ▸ | FPR2 | P25090 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177899 | 0.90 | CYP3A4 (0.40) | CA1CA2ACHEKCNQ2FPR1 | |
| SCHEMBL29434434 | 0.85 | CA1 (0.47) | CA1CA2ACHEKCNQ2FPR1 | |
| SCHEMBL18106745 | 0.85 | CA1 (0.47) | CA1CA2ACHEKCNQ2FPR1 | |
| SCHEMBL18106743 | 0.85 | CA1 (0.47) | CA1CA2ACHEKCNQ2FPR1 | |
| SCHEMBL29434315 | 0.84 | FPR1 (0.47) | CA1CA2ACHEKCNQ2FPR1 | |
| SCHEMBL16785496 | 0.84 | FPR1 (0.47) | CA1CA2ACHEKCNQ2FPR1 | |
| SCHEMBL18106669 | 0.83 | FPR1 (0.46) | CA1CA2ACHEKCNQ2FPR1 | |
| SCHEMBL18106672 | 0.83 | FPR1 (0.46) | CA1CA2ACHEKCNQ2FPR1 | |
| SCHEMBL18106572 | 0.82 | CA1 (0.45) | CA1CA2ACHEKCNQ2FPR1 | |
| SCHEMBL18579286 | 0.82 | CA1 (0.45) | CA1CA2ACHEKCNQ2FPR1 |
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 |