Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | GSR | P00390 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL25860571 | 0.84 | ALDH1A1 (0.51) | ALDH1A1MEN1ABCB11GSRTSHR | |
| SCHEMBL6751990 | 0.72 | ALDH1A1 (0.60) | ALDH1A1MEN1ABCB11GSRTSHR | |
| Carmustine SCHEMBL4503 | 0.69 | ALDH1A1 (1.00) | ALDH1A1MEN1ABCB11GSRTSHR | |
| SCHEMBL19351408 | 0.69 | ALDH1A1 (0.56) | ALDH1A1MEN1ABCB11GSRTSHR | |
| Carmustine SCHEMBL2047318 | 0.69 | ALDH1A1 (1.00) | ALDH1A1MEN1ABCB11GSRTSHR | |
| SCHEMBL25859798 | 0.69 | ALDH1A1 (0.56) | ALDH1A1MEN1ABCB11GSRTSHR | |
| Elmustine SCHEMBL93476 | 0.68 | ALDH1A1 (0.82) | ALDH1A1MEN1ABCB11GSRTSHR | |
| SCHEMBL20906025 | 0.68 | ALDH1A1 (0.82) | ALDH1A1MEN1ABCB11GSRTSHR | |
| SCHEMBL25860573 | 0.66 | ADRA2A (0.74) | ALDH1A1TSHRKMT2AADRA2APDE4A | |
| SCHEMBL25860627 | 0.66 | SMN1; SMN2 (0.54) | ALDH1A1MEN1KMT2ASMN1; SMN2 |
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 227/4885MEN1 542/4885ABCB11 2290/4885 |
“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.