Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2737296 | 0.86 | CYP2A6 (0.50) | CYP2A6PDK1LIMK1POLBALOX5 | |
| SCHEMBL20372824 | 0.80 | CYP2A6 (0.49) | CYP2A6PDK1POLBALDH1A1HSP90AA1 | |
| SCHEMBL31001776 | 0.79 | CYP2A6 (0.50) | CYP2A6PDK1POLBALDH1A1HSP90AA1 | |
| SCHEMBL22363299 | 0.78 | CYP2A6 (0.47) | CYP2A6PDK1POLBHSP90AA1TP53 | |
| SCHEMBL24621243 | 0.75 | CYP2A6 (0.41) | CYP2A6ALDH1A1KDM4ETP53MAPT | |
| SCHEMBL16872849 | 0.74 | CYP2A6 (0.40) | CYP2A6ALDH1A1MAPTTSHRSMN1; SMN2 | |
| SCHEMBL1107219 | 0.72 | CYP2A6 (0.55) | CYP2A6PDK1LIMK1POLBALDH1A1 | |
| SCHEMBL12434 | 0.72 | CYP2A6 (0.55) | CYP2A6PDK1LIMK1POLBALDH1A1 | |
| SCHEMBL21655326 | 0.71 | CYP2A6 (0.62) | CYP2A6PDK1LIMK1POLBALDH1A1 | |
| SCHEMBL139543 | 0.71 | ALOX5 (0.55) | CYP2A6ALOX5LMNAALOX15 |
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-20110124633-A1 | Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy | BERMAN JUDD | 2011-05-26 | — | — | 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-20110124633-A1 | Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy | NQO1, AADAC, SDHA | CYP2A6 820/4885PDK1 1340/4885LIMK1 4376/4885 |
“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.