Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL4362429 | 0.79 | ALDH1A1 (0.51) | ALDH1A1TP53 | |
| SCHEMBL1168085 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TP53 | |
| SCHEMBL3667336 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TP53 | |
| SCHEMBL6831492 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TP53 | |
| Water SCHEMBL9266955 | 0.71 | ALDH1A1 (0.96) | ALDH1A1TP53 | |
| SCHEMBL11155130 | 0.70 | ALDH1A1 (0.45) | ALDH1A1TP53 | |
| SCHEMBL5847098 | 0.70 | ALDH1A1 (0.62) | ALDH1A1TP53 | |
| SCHEMBL51610 | 0.68 | ALDH1A1 (1.00) | ALDH1A1TP53 | |
| SCHEMBL5527758 | 0.68 | ALDH1A1 (1.00) | ALDH1A1TP53 | |
| SCHEMBL9553808 | 0.66 | ALDH1A1 (0.52) | ALDH1A1TP53 |
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-20230212202-A1 | TREATMENT OF MGMT DEFICIENT CANCER WITH 2-FLUOROETHYL-SUBSTITUTED NITROSOUREAS AND OTHER COMPOUNDS | YALE UNIVERSITY | 2023-07-06 | — | — | 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-20230212202-A1 | TREATMENT OF MGMT DEFICIENT CANCER WITH 2-FLUOROETHYL-SUBSTITUTED NITROSOUREAS AND OTHER COMPOUNDS | MSH2, MGMT, MSH6 | ALDH1A1 227/4885TP53 7/4885 |
“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.