Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6094173 | 0.78 | PTGS2 (0.57) | PTGS2PTGS1 | |
| SCHEMBL6092923 | 0.78 | PTGS2 (0.57) | PTGS2PTGS1 | |
| SCHEMBL6790598 | 0.75 | PTGS2 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6790596 | 0.74 | PTGS2 (0.45) | PTGS2PTGS1 | |
| SCHEMBL5648251 | 0.71 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL5644179 | 0.68 | PTGS2 (0.60) | PTGS2PTGS1 | |
| SCHEMBL5644840 | 0.66 | PTGS2 (0.55) | PTGS2PTGS1 | |
| SCHEMBL7145945 | 0.66 | PTGS2 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19400217 | 0.65 | AR (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5763911 | 0.64 | NR1H4 (0.62) | CA12CA1CA2CA7CA9 |
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-6806288-B1 | CYCLOOXYGENASE-2 MEDIATED DISORDERS; REDUCES INFLAMMATION; FEWER SIDE EFFECTS | G.D. SEARLE & CO. | 2004-10-19 | — | — | US | disclosed |