Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 4/20 | 0.41 |
| ▸ | FPR1 | P21462 | 3/20 | 0.41 |
| ▸ | BRD4 | O60885 | 4/20 | 0.40 |
| ▸ | BRD2 | P25440 | 4/20 | 0.40 |
| ▸ | BRD3 | Q15059 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CPB1 | P15086 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177860 | 0.89 | CCKBR (0.48) | CCKBRCTSLCTSBCTSK | |
| SCHEMBL18270477 | 0.86 | FPR2 (0.45) | CCKBRCA1CA2ACHEKCNQ2 | |
| SCHEMBL20177845 | 0.84 | BRD4 (0.47) | CA1CA2ACHEKCNQ2FPR2 | |
| SCHEMBL22068860 | 0.84 | CA1 (0.44) | CCKBRCA1CA2ACHEKCNQ2 | |
| SCHEMBL20177909 | 0.82 | BRD4 (0.43) | CCKBRCA1CA2ACHEKCNQ2 | |
| SCHEMBL20177557 | 0.81 | CA1 (0.42) | CA1CA2ACHEKCNQ2FPR2 | |
| SCHEMBL29434434 | 0.81 | CA1 (0.47) | CA1CA2ACHEKCNQ2FPR2 | |
| SCHEMBL18106745 | 0.81 | CA1 (0.47) | CA1CA2ACHEKCNQ2FPR2 | |
| SCHEMBL18106743 | 0.81 | CA1 (0.47) | CA1CA2ACHEKCNQ2FPR2 | |
| SCHEMBL16785496 | 0.79 | FPR1 (0.47) | CCKBRCA1CA2ACHEKCNQ2 |
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 |