Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | TP53 | P04637 | 3/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL553608 | 0.86 | TSHR (0.67) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL25822505 | 0.82 | TSHR (0.57) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| Propene SCHEMBL11682106 | 0.82 | TSHR (0.61) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL11208297 | 0.81 | ALDH1A1 (0.52) | TSHRALDH1A1HSD17B10SMN1; SMN2CHRM5 | |
| SCHEMBL12780635 | 0.81 | TSHR (0.55) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL2612001 | 0.80 | TSHR (0.79) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL9421562 | 0.80 | TSHR (0.79) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL10390000 | 0.80 | TSHR (0.79) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL9421576 | 0.80 | TSHR (0.79) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| Benzene SCHEMBL433625 | 0.80 | TSHR (0.59) | TSHRALDH1A1TP53HIF1AHSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7378548-B2 | Tertiary amine compounds having an ester structure and processes for preparing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2008-05-27 | — | — | US | disclosed |
| EP-1253138-B1 | Novel tertiary amine compounds having an ester structure and processes for preparing same | SHINETSU CHEMICAL CO (JP) | 2007-06-27 | — | — | EP | disclosed |
| US-20060217570-A1 | Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same | SHIN-ETSU CHEMICAL CO., LTD. | 2006-09-28 | — | — | US | disclosed |
| US-7084303-B2 | Tertiary amine compounds having an ester structure and processes for preparing same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2006-08-01 | — | — | US | disclosed |
| US-20020193622-A1 | Novel tertiary amine compounds having an ester structure and processes for preparing same | SHIN-ETSU CHEMICAL CO., LTD. | 2002-12-19 | — | — | US | disclosed |
| EP-1253138-A2 | Novel tertiary amine compounds having an ester structure and processes for preparing same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-10-30 | — | — | 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 (2 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-20020193622-A1 | Novel tertiary amine compounds having an ester structure and processes for preparing same | PHOSPHO1, NAAA, DDAH1 | TSHR 3525/4885ALDH1A1 87/4885TP53 4450/4885 |
| US-20060217570-A1 | Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same | HRH3, HRH4, HRH2 | TSHR 2088/4885ALDH1A1 551/4885TP53 4435/4885 |
“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.