Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 8/20 | 0.48 |
| ▸ | MMP9 | P14780 | 6/20 | 0.48 |
| ▸ | MMP1 | P03956 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | MMP12 | P39900 | 2/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
| ▸ | MMP16 | P51512 | 1/20 | 0.45 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12923159 | 0.87 | PKM (0.48) | PKMMMP13MMP9MMP1KDM4E | |
| SCHEMBL14780551 | 0.83 | CA12 (0.55) | MMP13MMP9MMP1MMP2MMP3 | |
| SCHEMBL14780552 | 0.83 | CA1 (0.55) | PTGS2HSD17B10 | |
| SCHEMBL12895702 | 0.82 | PKM (0.55) | PKMMMP13MMP9MMP1KDM4E | |
| SCHEMBL14242430 | 0.81 | PKM (0.53) | PKMMMP13MMP9MMP1ALDH1A1 | |
| SCHEMBL14780550 | 0.79 | KCNH2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL12883762 | 0.77 | PKM (0.57) | PKMMMP13MMP1KDM4EALDH1A1 | |
| SCHEMBL12725103 | 0.76 | PKM (0.61) | PKMMMP13MMP9MMP1ALDH1A1 | |
| SCHEMBL18387955 | 0.74 | ALDH1A1 (0.50) | MMP13MMP9MMP1ALDH1A1MMP2 | |
| SCHEMBL13822839 | 0.74 | NPC1 (0.57) | ALDH1A1 |
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 |