Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 13/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 13/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL481068 | 0.79 | APLNR (0.31) | TRPA1CYP11B1CYP11B2 | |
| SCHEMBL7714943 | 0.79 | CYP11B1 (0.38) | TRPA1CYP11B1CYP11B2 | |
| SCHEMBL19771885 | 0.75 | TRPA1 (0.46) | TRPV4TRPA1CYP11B1CYP11B2S1PR3 | |
| SCHEMBL8812550 | 0.75 | CYP19A1 (0.39) | CYP11B1CYP11B2 | |
| SCHEMBL19771887 | 0.75 | TRPA1 (0.46) | TRPV4TRPA1CYP11B1CYP11B2S1PR3 | |
| SCHEMBL481290 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL8003067 | 0.73 | CYP11B1 (0.38) | TRPV4CYP11B1CYP11B2S1PR3AR | |
| SCHEMBL481054 | 0.73 | ALDH1A1 (0.40) | AR | |
| SCHEMBL4694911 | 0.72 | — | — | |
| SCHEMBL104710 | 0.71 | TRPV4 (0.52) | TRPV4CYP11B1CYP11B2S1PR3 |
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-1135023-A4 | AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF | LILLY CO ELI (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-1135023-A1 | AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF | ELI LILLY AND COMPANY (US) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000027199-A1 | AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF | ELI LILLY AND COMPANY (US) | 2000-05-18 | — | — | WO | disclosed |