Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | OXTR | P30559 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14780559 | 0.79 | PKM (0.48) | PTGS1PTGS2 | |
| SCHEMBL1422276 | 0.76 | CA2 (0.72) | KCNH2MKNK1MKNK2CA1CA2 | |
| SCHEMBL1422416 | 0.74 | KCNH2 (0.72) | KCNH2MKNK1MKNK2CA1CA2 | |
| SCHEMBL31174412 | 0.73 | CYP2A6 (0.68) | MKNK1MKNK2CA1CA2HSD17B1 | |
| SCHEMBL3754419 | 0.73 | CYP2A6 (0.68) | MKNK1MKNK2CA1CA2HSD17B1 | |
| SCHEMBL14780551 | 0.72 | CA12 (0.55) | CA1CA2 | |
| SCHEMBL14780552 | 0.72 | CA1 (0.55) | CA1CA2PTGS2 | |
| SCHEMBL1622275 | 0.71 | MKNK1 (0.54) | MKNK1MKNK2HSD17B1HSD17B2CYP2A6 | |
| SCHEMBL13618882 | 0.71 | MKNK1 (0.54) | MKNK1MKNK2HSD17B1HSD17B2CYP2A6 | |
| SCHEMBL131058 | 0.69 | NAAA (0.49) | KCNH2MKNK1MKNK2CA1CA2 |
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-8399136-B2 | Electrolyte solution for lithium ion secondary battery, lithium ion secondary battery, fluoroalkane derivative and gelling agent | ASAHI KASEI E-MATERIALS CORPORATION (JP) | 2013-03-19 | — | — | US | disclosed |