Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.30 |
| ▸ | CHRNG | P07510 | 1/20 | 0.30 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | CHRND | Q07001 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24748651 | 0.95 | CHRNA1 (0.30) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL24748130 | 0.95 | CA12 (0.31) | CA12CA1CA2CA9CHRNA1 | |
| SCHEMBL23239503 | 0.95 | PLA2G2A (0.31) | CA12CA1CA2CA9CHRNA1 | |
| SCHEMBL24965141 | 0.95 | PLA2G2A (0.31) | CA12CA1CA2CA9CHRNA1 | |
| SCHEMBL24748739 | 0.95 | CHRNA1 (0.31) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL23233477 | 0.95 | CHRNA1 (0.30) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL24963769 | 0.94 | CHRNA1 (0.31) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL25824182 | 0.93 | PLA2G2A (0.32) | CA12CA1CA2CA9CHRNA1 | |
| SCHEMBL23770189 | 0.93 | CA12 (0.32) | CA12CA1CA2CA9 | |
| SCHEMBL23233478 | 0.92 | CA12 (0.31) | CA12CA1CA2CA9CHRNA1 |
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-2022259886-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | 出光興産株式会社 | 2022-12-15 | — | — | WO | disclosed |