Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA7 | P43166 | 4/20 | 0.55 |
| ▸ | CA9 | Q16790 | 4/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14780551 | 0.94 | CA12 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL14780559 | 0.83 | PKM (0.48) | PTGS2HSD17B10 | |
| SCHEMBL6836988 | 0.76 | CYP3A4 (0.63) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9152649 | 0.76 | CYP3A4 (0.63) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17108413 | 0.76 | CYP3A4 (0.63) | CA1CA2CA7CA9CA12 | |
| SCHEMBL931816 | 0.75 | CA12 (0.72) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6900466 | 0.75 | CA12 (0.72) | CA1CA2CA7CA9CA12 | |
| SCHEMBL13481191 | 0.73 | CA12 (0.70) | CA1CA2CA7CA9CA12 | |
| SCHEMBL14780550 | 0.72 | KCNH2 (0.47) | CA1CA2PTGS2 | |
| SCHEMBL13588816 | 0.72 | CA12 (0.64) | CA1CA2CA7CA9CA12 |
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 |