Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 5/20 | 0.37 |
| ▸ | MMP13 | P45452 | 5/20 | 0.37 |
| ▸ | MMP1 | P03956 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16865191 | 0.92 | MAPT (0.41) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL16865159 | 0.77 | NPSR1 (0.39) | TP53NPSR1 | |
| SCHEMBL15024695 | 0.75 | CYP3A4 (0.50) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL10422701 | 0.69 | CYP2C9 (0.46) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL25316944 | 0.68 | PKM (0.61) | CYP3A4CYP2C9PKMCYP2C19MMP9 | |
| SCHEMBL4004910 | 0.67 | CYP3A4 (0.60) | CYP3A4CYP2C9PKMCYP2C19MMP9 | |
| SCHEMBL8527277 | 0.67 | CHRM4 (0.38) | CYP3A4CYP2C9PKMCYP2C19CA1 | |
| SCHEMBL8498357 | 0.67 | MMP2 (0.37) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL21760884 | 0.66 | CYP2D6 (0.48) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL23049642 | 0.66 | CYP3A4 (0.58) | CYP3A4CYP2C9PKMCYP2C19MMP9 |
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-20150188193-A1 | NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY | FUJIFILM CORPORATION (JP) | 2015-07-02 | — | — | US | disclosed |