Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1395382 | 0.83 | NQO1 (0.58) | NQO1CA12CA1CA9MAOA | |
| SCHEMBL15953090 | 0.81 | NQO1 (0.61) | NQO1CA12CA1CA9MAOA | |
| SCHEMBL300151 | 0.79 | NQO1 (0.53) | NQO1CA12CA1CA9MAOA | |
| SCHEMBL28695610 | 0.79 | NQO1 (0.53) | NQO1CA12CA1CA9MAOA | |
| SCHEMBL18517517 | 0.77 | ALDH1A1 (0.48) | CA12CA1CA9ALDH1A1SMN1; SMN2 | |
| SCHEMBL1414225 | 0.77 | ALDH1A1 (0.71) | NQO1CA12CA1CA9ALDH1A1 | |
| SCHEMBL5448055 | 0.77 | NQO1 (0.51) | NQO1CA12CA1CA9MAOA | |
| SCHEMBL1414224 | 0.77 | ALDH1A1 (0.71) | NQO1CA12CA1CA9ALDH1A1 | |
| SCHEMBL17384233 | 0.75 | ALDH1A1 (0.49) | NQO1CA12CA1CA9MAOA | |
| SCHEMBL282184 | 0.75 | NQO1 (0.62) | NQO1CA12CA1CA9MAOA |
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-20100048604-A1 | Ligands for Aldoketoreductases | TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2010-02-25 | — | — | US | disclosed |
| WO-2006023821-A2 | LIGANDS FOR ALDOKETOREDUCTASES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2006-03-02 | — | — | WO | 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-20100048604-A1 | Ligands for Aldoketoreductases | AKR1C2, AKR1C1, AKR1B1 | NQO1 22/4885CA12 4661/4885CA1 4678/4885 |
“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.