Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL29084012 | 0.83 | OPRM1 (0.38) | ALDH1A1CYP2A6OPRM1 | |
| Benzene SCHEMBL28680468 | 0.82 | OPRM1 (0.32) | CA2CA12CA9CA1OPRM1 | |
| SCHEMBL27794540 | 0.82 | OPRM1 (0.32) | CA2CA12CA9CA1OPRM1 | |
| SCHEMBL28366987 | 0.79 | ALDH1A1 (0.41) | CA2ALDH1A1CA12CA9CA14 | |
| SCHEMBL29084028 | 0.79 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL17474259 | 0.78 | OPRM1 (0.33) | TSHROPRM1 | |
| SCHEMBL29093603 | 0.76 | MAPT (0.34) | PGRALDH1A1POLB | |
| SCHEMBL29084104 | 0.76 | MGAT2 (0.33) | — | |
| SCHEMBL29084132 | 0.75 | RAPGEF3 (0.33) | ALDH1A1 | |
| SCHEMBL29181879 | 0.74 | SLC6A3 (0.35) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-108452821-B | Pd/crystalline carbon nitride heterojunction photocatalyst, preparation method and application of photocatalytic Ullmann coupling reaction | 陕西师范大学 | 2020-11-17 | — | — | CN | disclosed |