Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.51 |
| ▸ | CA1 | P00915 | 6/20 | 0.51 |
| ▸ | CA2 | P00918 | 6/20 | 0.51 |
| ▸ | CA9 | Q16790 | 6/20 | 0.51 |
| ▸ | STK17B | O94768 | 1/20 | 0.46 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CCNC | P24863 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30131245 | 0.96 | CA12 (0.50) | CA12CA1CA2CA9STK17B | |
| SCHEMBL23720472 | 0.86 | CA12 (0.50) | CA12CA1CA2CA9STK17B | |
| SCHEMBL20173482 | 0.86 | CA12 (0.50) | CA12CA1CA2CA9STK17B | |
| SCHEMBL16980667 | 0.86 | CA1 (0.53) | CA12CA1CA2CA9STK17B | |
| SCHEMBL18530385 | 0.83 | CA12 (0.50) | CA12CA1CA2CA9STK17B | |
| SCHEMBL16980508 | 0.82 | CA12 (0.49) | CA12CA1CA2CA9STK17B | |
| SCHEMBL18289997 | 0.82 | CA12 (0.49) | CA12CA1CA2CA9STK17B | |
| SCHEMBL18530389 | 0.82 | CA12 (0.49) | CA12CA1CA2CA9STK17B | |
| SCHEMBL30564446 | 0.82 | CA12 (0.49) | CA12CA1CA2CA9STK17B | |
| SCHEMBL528927 | 0.82 | CA12 (0.52) | CA12CA1CA2CA9STK17B |
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-2018098305-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2018-05-31 | — | — | WO | disclosed |