Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.54 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | BRD4 | O60885 | 6/20 | 0.48 |
| ▸ | BRD2 | P25440 | 6/20 | 0.48 |
| ▸ | BRD3 | Q15059 | 6/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8478250 | 0.90 | CA4 (0.60) | PTGS2PTGS1CA4BRD4BRD2 | |
| SCHEMBL8476187 | 0.88 | PTGS2 (0.51) | PTGS2PTGS1CA4BRD4BRD2 | |
| SCHEMBL6169839 | 0.87 | PTGS2 (0.54) | PTGS2PTGS1CA4BRD4BRD2 | |
| SCHEMBL8475164 | 0.87 | ALDH1A1 (0.48) | PTGS2PTGS1CA4BRD4BRD2 | |
| SCHEMBL8473939 | 0.87 | BRD4 (0.51) | PTGS2PTGS1CA4BRD4BRD2 | |
| SCHEMBL6740093 | 0.85 | PTGS2 (0.52) | PTGS2PTGS1CA4BRD4BRD2 | |
| SCHEMBL6171866 | 0.84 | PTGS2 (0.61) | PTGS2PTGS1CA4CA12MT-CO2 | |
| SCHEMBL6726567 | 0.83 | PAX8 (0.51) | PTGS2PTGS1CA4BRD4BRD2 | |
| SCHEMBL6307489 | 0.82 | PTGS2 (0.45) | PTGS2PTGS1CA4 | |
| SCHEMBL8477909 | 0.82 | PTGS2 (0.60) | PTGS2PTGS1CA4BRD4BRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5859257-A | ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS | G. D. SEARLE & CO. (US) | 1999-01-12 | — | — | US | disclosed |