Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | RHOA | P61586 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10616152 | 0.98 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1HSD17B10ESR1 | |
| SCHEMBL28355427 | 0.98 | CYP3A4 (0.52) | CYP3A4TSHRALDH1A1HSD17B10ESR1 | |
| SCHEMBL28355430 | 0.90 | CYP3A4 (0.46) | CYP3A4TSHRALDH1A1HSD17B10ESR1 | |
| SCHEMBL27693162 | 0.87 | CYP3A4 (0.43) | CYP3A4TSHRALDH1A1HSD17B10ESR1 | |
| SCHEMBL8525626 | 0.86 | CYP3A4 (0.46) | CYP3A4TSHRALDH1A1HSD17B10ESR1 | |
| SCHEMBL7631407 | 0.84 | CYP3A4 (0.59) | CYP3A4TSHRALDH1A1HSD17B10SNCA | |
| SCHEMBL2832548 | 0.83 | CYP3A4 (0.47) | CYP3A4TSHRALDH1A1HSD17B10CA1 | |
| SCHEMBL2833921 | 0.80 | ESR1 (0.46) | CYP3A4TSHRALDH1A1HSD17B10ESR1 | |
| SCHEMBL7573253 | 0.80 | CYP3A4 (0.51) | CYP3A4TSHRALDH1A1HSD17B10SNCA | |
| SCHEMBL10779321 | 0.78 | CYP3A4 (0.53) | CYP3A4TSHRALDH1A1HSD17B10SNCA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120275012-A1 | NITROGEN-LINKED SURFACE FUNCTIONALIZED PIGMENTS FOR INKS | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2012-11-01 | — | — | US | disclosed |
| 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 | CYP3A4 2090/4885TSHR 3459/4885ALDH1A1 2511/4885 |
“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.