Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.64 |
| ▸ | CASP1 | P29466 | 1/20 | 0.61 |
| ▸ | CASP14 | P31944 | 1/20 | 0.61 |
| ▸ | CASP3 | P42574 | 1/20 | 0.61 |
| ▸ | CASP2 | P42575 | 1/20 | 0.61 |
| ▸ | CASP4 | P49662 | 1/20 | 0.61 |
| ▸ | CASP5 | P51878 | 1/20 | 0.61 |
| ▸ | CASP7 | P55210 | 1/20 | 0.61 |
| ▸ | CASP9 | P55211 | 1/20 | 0.61 |
| ▸ | CASP6 | P55212 | 1/20 | 0.61 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.61 |
| ▸ | CASP12 | Q6UXS9 | 1/20 | 0.61 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3108708 | 0.80 | ABCG2 (0.73) | ABCG2MAPTPOLBNPSR1CYP1A2 | |
| SCHEMBL3106139 | 0.79 | ABCG2 (0.72) | ABCG2MAPTPOLBNPSR1CYP1A2 | |
| SCHEMBL13056961 | 0.79 | CASP1 (0.69) | ABCG2CASP1CASP14CASP3CASP2 | |
| SCHEMBL13082149 | 0.78 | CASP1 (0.64) | ABCG2CASP1CASP14CASP3CASP2 | |
| SCHEMBL13056958 | 0.78 | CASP1 (0.60) | ABCG2CASP1CASP14CASP3CASP2 | |
| SCHEMBL13057001 | 0.77 | ABCG2 (0.53) | ABCG2MAPTPOLBNPSR1CYP1A2 | |
| SCHEMBL13056971 | 0.77 | ABCG2 (0.56) | ABCG2MAPTPOLBNPSR1CYP1A2 | |
| SCHEMBL3758852 | 0.76 | CASP1 (1.00) | CASP1CASP14CASP3CASP2CASP4 | |
| SCHEMBL13056960 | 0.74 | CASP1 (0.59) | CASP1CASP14CASP3CASP2CASP4 | |
| SCHEMBL5842574 | 0.72 | ALDH1A1 (0.71) | ABCG2CASP3MAPTNPSR1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7842805-B2 | Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof | MYREXIS, INC. (US) | 2010-11-30 | — | — | US | disclosed |
| US-20080020985-A1 | PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | MYRIAD GENETICS, INC. (US) | 2008-01-24 | — | — | 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-20080020985-A1 | PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CASP3, CASP2, CASP5 | ABCG2 1524/4885CASP1 10/4885CASP14 4/4885 |
“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.