Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.41 |
| ▸ | CA2 | P00918 | 9/20 | 0.40 |
| ▸ | CA9 | Q16790 | 9/20 | 0.40 |
| ▸ | CA1 | P00915 | 8/20 | 0.40 |
| ▸ | CA12 | O43570 | 7/20 | 0.40 |
| ▸ | CA4 | P22748 | 6/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL4888027 | 0.83 | PTGS2 (0.50) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL6180126 | 0.81 | PTGS2 (0.49) | PTGS2PTGS1PDE3A | |
| SCHEMBL4884123 | 0.78 | PTGS2 (0.64) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL9124523 | 0.76 | PTGS2 (0.59) | PTGS2PTGS1PDE3A | |
| SCHEMBL8474574 | 0.75 | CA1 (0.48) | APPAKR1C3AKR1C2PTGS2CA2 | |
| SCHEMBL6168007 | 0.73 | PTGS2 (0.53) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL8474584 | 0.72 | PTGS2 (0.59) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL6168376 | 0.70 | MEN1 (0.40) | CYP2C19AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL6168516 | 0.69 | PTGS2 (0.55) | PTGS2CA4PTGS1 | |
| SCHEMBL8474484 | 0.69 | CA1 (0.46) | PTGS2CA2CA9CA1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1528059-A2 | Substituted isoxazoles for the treatment of inflammation | G.D. Searle LLC (US) | 2005-05-04 | — | — | EP | disclosed |