Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.45 |
| ▸ | FNTB | P49356 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2837860 | 0.90 | NPC1 (0.56) | NPC1ALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL11544365 | 0.90 | NPC1 (0.67) | NPC1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL2831442 | 0.89 | NPC1 (0.54) | NPC1ALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL2834927 | 0.84 | NPC1 (0.82) | NPC1KMT2AALDH1A1ADRB2ADRB1 | |
| SCHEMBL2834373 | 0.83 | KMT2A (0.50) | NPC1MEN1KMT2AALDH1A1CES2 | |
| SCHEMBL9178035 | 0.83 | ALDH1A1 (0.47) | NPC1MEN1KMT2AALDH1A1ADRB2 | |
| SCHEMBL4672375 | 0.82 | NPC1 (0.53) | NPC1MEN1KMT2AALDH1A1ADRB2 | |
| SCHEMBL2833985 | 0.81 | RAB9A (0.50) | NPC1MEN1KMT2AALDH1A1CES2 | |
| SCHEMBL11317858 | 0.80 | HRH3 (0.52) | NPC1MEN1KMT2AALDH1A1ADRB2 | |
| SCHEMBL14389377 | 0.79 | ALDH1A1 (0.76) | ALDH1A1ADRB2ADRB1ADRB3TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8263268-B2 | Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound | UBE INDUSTRIES, LTD. (JP) | 2012-09-11 | — | — | US | disclosed |
| EP-2108640-B1 | ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND | UBE INDUSTRIES (JP) | 2012-07-25 | — | — | EP | disclosed |
| US-20100119955-A1 | ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND | UBE INDUSTRIES, LTD. (JP) | 2010-05-13 | — | — | US | disclosed |
| EP-2108640-A1 | ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND | Ube Industries, Ltd. (JP) | 2009-10-14 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100119955-A1 | ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND | CEL, LAGE3, PEF1 | NPC1 962/4885MEN1 2371/4885KMT2A 1023/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.