Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 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 | |
|---|---|---|---|---|
| SCHEMBL29556118 | 0.86 | PTGS1 (0.48) | PTGS1PTGS2AKR1B1PTGES2CA12 | |
| SCHEMBL789994 | 0.86 | PTGS1 (0.48) | PTGS1PTGS2AKR1B1PTGES2CA12 | |
| Iodide SCHEMBL28547721 | 0.84 | PTGS1 (0.47) | PTGS1PTGS2AKR1B1PTGES2CA12 | |
| Hydrochloric Acid SCHEMBL29968814 | 0.84 | PTGS1 (0.47) | PTGS1PTGS2AKR1B1PTGES2CA12 | |
| Formic Acid SCHEMBL14247448 | 0.77 | PTGES2 (0.43) | PTGS1PTGS2AKR1B1PTGES2CA12 | |
| Trifluoroacetic Acid SCHEMBL30333729 | 0.77 | NR3C2 (0.42) | PTGS1PTGS2AKR1B1PTGES2CA12 | |
| SCHEMBL29721599 | 0.74 | PTGES2 (0.49) | PTGS1PTGS2PTGES2CA12CA2 | |
| SCHEMBL1127112 | 0.74 | PTGES2 (0.49) | PTGS1PTGS2PTGES2CA12CA2 | |
| Hydrochloric Acid SCHEMBL1554456 | 0.72 | PTGES2 (0.47) | PTGS1PTGS2PTGES2CA12CA2 | |
| Hydrochloric Acid SCHEMBL30646289 | 0.72 | PTGES2 (0.47) | PTGS1PTGS2PTGES2CA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |