Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL575172 | 0.83 | F2 (0.40) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL1536450 | 0.66 | SMN1; SMN2 (0.49) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL1536451 | 0.66 | SMN1; SMN2 (0.49) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL775620 | 0.65 | CES2 (0.59) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL27498 | 0.64 | BCL2L1 (0.85) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL4570568 | 0.64 | BCL2L1 (0.85) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL18670950 | 0.64 | BCL2L1 (0.85) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL775621 | 0.63 | NPC1 (0.61) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL9630702 | 0.63 | CES2 (0.50) | CES2CES1BCL2L1BADCA1 | |
| Fluoride SCHEMBL10732554 | 0.62 | BCL2L1 (0.81) | CES2CES1BCL2L1BADCA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2339684-A2 | Nonaqueous electrolytic solution, nonaqueous electrolyte secondary cell, and carbonate compounds | Mitsubishi Chemical Corporation (JP) | 2011-06-29 | — | — | EP | disclosed |