Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.53 |
| ▸ | KDM1A | O60341 | 7/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8627676 | 0.92 | PTGS2 (0.52) | PTGS2PTGS1KDM1AALDH1A1 | |
| SCHEMBL8628180 | 0.90 | CA9 (0.45) | PTGS2PTGS1ALDH1A1CA12CA9 | |
| SCHEMBL7779246 | 0.89 | PTGS2 (0.56) | PTGS2PTGS1KDM1AABCB11ALDH1A1 | |
| SCHEMBL7780806 | 0.86 | PTGS2 (0.61) | PTGS2PTGS1KDM1AABCB11ALDH1A1 | |
| SCHEMBL8631671 | 0.86 | CHRNA7 (0.50) | PTGS2PTGS1CA12CA9 | |
| SCHEMBL8633767 | 0.85 | CA9 (0.58) | PTGS2CA12CA9 | |
| SCHEMBL8633844 | 0.83 | CA9 (0.56) | PTGS2ALDH1A1CA12CA9 | |
| SCHEMBL7780516 | 0.83 | PTGS2 (0.59) | PTGS2PTGS1KDM1AABCB11ALDH1A1 | |
| SCHEMBL8631075 | 0.83 | CA9 (0.55) | PTGS2CA12CA9 | |
| SCHEMBL7777640 | 0.82 | PTGS2 (0.57) | PTGS2PTGS1KDM1AABCB11ALDH1A1 |
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-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |