Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.56 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13096609 | 0.86 | NFE2L2 (0.55) | ALDH1A1NFE2L2NQO2KMT2AMAOB | |
| SCHEMBL19503485 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CYP2A6NFE2L2NQO2KMT2A | |
| SCHEMBL18898978 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CYP2A6NFE2L2NQO2KMT2A | |
| SCHEMBL19503903 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CYP2A6NFE2L2NQO2KMT2A | |
| SCHEMBL18898979 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CYP2A6NFE2L2NQO2KMT2A | |
| SCHEMBL13450059 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CYP2A6NQO2KMT2ACYP1A1 | |
| SCHEMBL18898810 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP2A6NFE2L2KMT2ACYP1A1 | |
| SCHEMBL19503906 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP2A6NFE2L2KMT2ACYP1A1 | |
| Anisaldehyde SCHEMBL29064107 | 0.81 | ALDH1A1 (0.73) | ALDH1A1CYP2A6KMT2AL3MBTL1RELA | |
| SCHEMBL18854904 | 0.81 | ALDH1A1 (0.73) | ALDH1A1CYP2A6NQO2RELACYP1A1 |
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-20170305836-A1 | TRI-ARYL COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME | BEN-GURION UNIV OF THE NEGEV RES AND DEV AUTHORITY (IL) | 2017-10-26 | — | — | 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-20170305836-A1 | TRI-ARYL COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME | AHR, ABL1, ARNT | ALDH1A1 610/4885CYP2A6 63/4885NFE2L2 226/4885 |
“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.