Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3159689 | 0.85 | KDM1A (0.57) | KDM1AALDH1A1SLC6A4SLC6A2OPRM1 | |
| Hydrochloric Acid SCHEMBL18742400 | 0.84 | KDM1A (0.56) | KDM1AALDH1A1SLC6A4SLC6A2OPRM1 | |
| SCHEMBL6663444 | 0.83 | ALDH1A1 (0.60) | KDM1AALDH1A1SLC6A4SLC6A2SLC22A1 | |
| SCHEMBL17982834 | 0.82 | KDM1A (0.54) | KDM1ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL521519 | 0.82 | KDM1A (0.54) | KDM1ASLC6A4SLC6A2KMT2ASLC6A3 | |
| Hydrochloric Acid SCHEMBL18742809 | 0.81 | KDM1A (0.53) | KDM1ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL5221231 | 0.81 | KDM1A (0.53) | KDM1A | |
| SCHEMBL20888167 | 0.81 | SLC6A4 (0.50) | KDM1AALDH1A1SLC6A4SLC6A2SLC22A1 | |
| SCHEMBL4879303 | 0.80 | NPC1 (0.47) | KDM1AALDH1A1SLC22A1MEN1KMT2A | |
| SCHEMBL4879310 | 0.80 | NPC1 (0.47) | KDM1AALDH1A1SLC22A1MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040224954-A1 | Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds | GRUNENTHAL GMBH (DE) | 2004-11-11 | — | — | US | claimed |
| EP-1444212-A1 | SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS | Grünenthal GmbH (DE) | 2004-08-11 | — | — | EP | claimed |
| WO-2003037879-A1 | SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS | Grünenthal GmbH (DE) | 2003-05-08 | — | — | WO | claimed |
| US-20040224954-A1 | Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds | GRUNENTHAL GMBH (DE) | 2004-11-11 | — | — | US | disclosed |
| EP-1444212-A1 | SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS | Grünenthal GmbH (DE) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003037879-A1 | SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS | Grünenthal GmbH (DE) | 2003-05-08 | — | — | 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-20040224954-A1 | Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds | NQO2, NQO1, CYP2C8 | KDM1A 1049/4885ALDH1A1 882/4885SLC6A4 1389/4885 |
“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.