Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CA3 | P07451 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | MMP3 | P08254 | 1/20 | 0.53 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 7/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 4/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL176946 | 0.90 | TRPV4 (0.57) | TRPV4ESR1ESR2CYP11B1CYP11B2 | |
| SCHEMBL31122790 | 0.88 | TRPV4 (0.55) | TRPV4ESR1ESR2CYP11B1CYP11B2 | |
| SCHEMBL17672970 | 0.86 | CA12 (0.50) | CA9CA12CA2CA3CA6 | |
| SCHEMBL17672811 | 0.84 | CA12 (0.47) | CA9CA12CA2CA3CA6 | |
| SCHEMBL6864959 | 0.84 | TRPV4 (0.47) | CA9CA12CA2CA3CA6 | |
| Alcohol SCHEMBL27852105 | 0.81 | TRPV4 (0.48) | TRPV4ESR1ESR2CYP11B1CYP11B2 | |
| SCHEMBL1797379 | 0.80 | TRPV4 (0.59) | TRPV4CYP11B1CYP11B2 | |
| SCHEMBL2786094 | 0.79 | AR (0.62) | MMP3TRPV4ESR1ESR2CYP11B1 | |
| SCHEMBL17672698 | 0.79 | CA12 (0.50) | CA9CA12CA2CA3CA6 | |
| SCHEMBL17672587 | 0.77 | MRGPRX4 (0.42) | CA9CA12CA2CA3CA6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |