Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | FDFT1 | P37268 | 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 | |
|---|---|---|---|---|
| SCHEMBL29381110 | 0.95 | CYP3A4 (0.32) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| SCHEMBL15467101 | 0.95 | CYP3A4 (0.32) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| SCHEMBL6426968 | 0.95 | TSHR (0.36) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| Lithium Ion SCHEMBL6426738 | 0.95 | CYP3A4 (0.32) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| Potassium Ion SCHEMBL1133907 | 0.95 | CYP3A4 (0.32) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| Tetrylammonium SCHEMBL19811267 | 0.87 | TSHR (0.33) | TSHRNFKB1 | |
| Tetrabuthylammonium SCHEMBL1111675 | 0.82 | SLC22A1 (0.44) | CYP3A4TSHRCA2 | |
| Lithium Ion SCHEMBL19811155 | 0.81 | CA2 (0.34) | TSHRCA1CA2 | |
| SCHEMBL19811115 | 0.81 | CA2 (0.38) | TSHRCA2 | |
| Potassium Ion SCHEMBL19811679 | 0.81 | FDFT1 (0.35) | TSHRCA2FDFT1 |
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-113195674-B | Hydrofluoroolefins and methods of use thereof | 3M创新有限公司 | 2023-09-01 | — | — | CN | disclosed |