Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.45 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29808069 | 0.81 | CA2 (0.58) | CA2CA9CA12CA1HTR6 | |
| SCHEMBL5488230 | 0.80 | CA2 (0.56) | CA2CA9CA12CA1PTGS2 | |
| SCHEMBL5624294 | 0.79 | CA2 (0.59) | CA2CA9CA12CA1HTR6 | |
| SCHEMBL29914888 | 0.78 | HTR6 (0.61) | CA2CA9CA12CA1HTR6 | |
| SCHEMBL19533217 | 0.74 | CYP11B1 (0.56) | PTGS2CYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL9974947 | 0.73 | CYP2A6 (0.62) | CA2CA9CA12CA1PTGS2 | |
| SCHEMBL9974924 | 0.73 | CYP2A6 (0.62) | CA2CA9CA12CA1PTGS2 | |
| SCHEMBL21742734 | 0.73 | CYP11B1 (0.54) | CYP11B1CYP11B2CYP19A1CYP17A1MKNK1 | |
| SCHEMBL14075569 | 0.73 | CA9 (0.70) | CA2CA9CA12CA1HTR6 | |
| SCHEMBL16805996 | 0.73 | SLC2A1 (0.66) | PTGS2CYP11B1CYP11B2CYP19A1CYP17A1 |
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-1998004260-A1 | SUBSTITUTED BIPHENYL SULFONAMIDE ENDOTHELIN ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-02-05 | — | — | WO | disclosed |