Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL21596422 | 0.78 | CA2 (0.42) | TSHRALDH1A1ALOX15USP2LMNA | |
| Diethanolamine SCHEMBL1829927 | 0.78 | CA2 (0.42) | TSHRALDH1A1ALOX15USP2LMNA | |
| SCHEMBL13661632 | 0.77 | TSHR (0.50) | TSHRALDH1A1ALOX15USP2LMNA | |
| SCHEMBL302015 | 0.76 | — | — | |
| Improsulfan SCHEMBL27654142 | 0.76 | TSHR (0.61) | TSHRALDH1A1ALOX15USP2LMNA | |
| SCHEMBL14421027 | 0.76 | TSHR (0.48) | TSHRALDH1A1ALOX15USP2LMNA | |
| Ritrosulfan SCHEMBL297132 | 0.75 | KDM4E (0.43) | TSHRALDH1A1ALOX15USP2LMNA | |
| Improsulfan SCHEMBL8954 | 0.75 | USP2 (0.67) | TSHRALDH1A1ALOX15USP2LMNA | |
| SCHEMBL13661165 | 0.74 | ALDH1A1 (0.46) | TSHRALDH1A1ALOX15USP2LMNA | |
| Ammonia Solution, Strong SCHEMBL7783978 | 0.74 | — | — |
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-20190185413-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2019-06-20 | — | — | US | 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-20190185413-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | TSHR 3383/4885ALDH1A1 501/4885ALOX15 3292/4885 |
“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.