Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA6 | P23280 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8630958 | 0.90 | LRRK2 (0.48) | CA1CA2LRRK2 | |
| SCHEMBL8632961 | 0.90 | F10 (0.40) | CA1CA2CA12CA9LRRK2 | |
| SCHEMBL8627977 | 0.89 | PTGS2 (0.50) | CA1CA2CA12CA9PTGS2 | |
| SCHEMBL8634768 | 0.89 | F10 (0.42) | CA1CA2CA12CA9LRRK2 | |
| SCHEMBL8632840 | 0.89 | LRRK2 (0.42) | CA1CA2CA12CA9PTGS2 | |
| SCHEMBL8631181 | 0.89 | PTGS2 (0.50) | CA9TRPV1PTGS2 | |
| SCHEMBL8628206 | 0.86 | PTGES2 (0.39) | CA1CA2CA12CA9PTGS2 | |
| SCHEMBL8629752 | 0.86 | CA2 (0.43) | CA1CA2CA12CA9PTGS2 | |
| SCHEMBL8632216 | 0.86 | SCN9A (0.46) | F10SCN9A | |
| SCHEMBL8631662 | 0.85 | F10 (0.42) | CA1CA2CA12CA9F10 |
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 |