Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.40 |
| ▸ | KIF11 | P52732 | 4/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15563056 | 0.89 | ESR1 (0.53) | SIGMAR1ESR1ESR2KCNN4KIF11 | |
| SCHEMBL7005923 | 0.86 | HDAC11 (0.47) | ESR1MAPK1 | |
| SCHEMBL7025067 | 0.86 | HDAC11 (0.47) | ESR1MAPK1 | |
| SCHEMBL5705332 | 0.86 | HDAC11 (0.47) | ESR1MAPK1 | |
| SCHEMBL29210399 | 0.85 | ESR1 (0.38) | SIGMAR1ESR1ESR2KCNN4KIF11 | |
| SCHEMBL4740369 | 0.84 | ESR1 (0.53) | SIGMAR1ESR1ESR2MAPK1 | |
| SCHEMBL10448023 | 0.84 | ESR1 (0.53) | SIGMAR1ESR1ESR2MAPK1 | |
| SCHEMBL8978824 | 0.84 | ESR1 (0.53) | SIGMAR1ESR1ESR2MAPK1 | |
| SCHEMBL285366 | 0.84 | ESR1 (0.50) | SIGMAR1ESR1ESR2KCNN4KIF11 | |
| SCHEMBL827345 | 0.83 | ESR1 (0.56) | ESR1ESR2KCNN4TAAR1MAPK1 |
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-1539127-A1 | METHOD OF TREATING OSTEOARTHRITIS | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2005002557-A1 | PHARMACEUTICAL COMPOSITIONS INCLUDING AN ETHER AND SELECTIVE COX-2 INHIBITOR AND USES THEREOF | WARNER-LAMBERT COMPANY LLC (US) | 2005-01-13 | — | — | WO | disclosed |
| WO-2004017952-A1 | METHOD OF TREATING OSTEOARTHRITIS | WARNER-LAMBERT COMPANY LLC (US) | 2004-03-04 | — | — | WO | disclosed |