Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | APLNR | P35414 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.43 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1001937 | 0.91 | CCNE1 (0.51) | ALDH1A1KDM4EOPRM1OPRD1APLNR | |
| SCHEMBL13271695 | 0.89 | ALDH1A1 (0.49) | ALDH1A1KDM4EOPRM1OPRD1MAPT | |
| SCHEMBL3508751 | 0.89 | ALDH1A1 (0.59) | ALDH1A1KDM4EOPRM1OPRD1APLNR | |
| SCHEMBL8221621 | 0.80 | CCNE1 (0.50) | ALDH1A1KDM4EOPRM1OPRD1MAPT | |
| SCHEMBL3507786 | 0.80 | CCNE1 (0.48) | ALDH1A1KDM4EOPRM1OPRD1APLNR | |
| SCHEMBL1003021 | 0.80 | APLNR (0.51) | ALDH1A1KDM4EOPRM1OPRD1APLNR | |
| SCHEMBL8233529 | 0.79 | ALDH1A1 (0.59) | ALDH1A1KDM4EOPRM1OPRD1MAPT | |
| SCHEMBL1004348 | 0.76 | APLNR (0.54) | ALDH1A1KDM4EAPLNRMAPTPOLB | |
| SCHEMBL783785 | 0.70 | APLNR (1.00) | ALDH1A1KDM4EAPLNRMEN1KMT2A | |
| SCHEMBL23143337 | 0.68 | CYP1A2 (0.54) | ALDH1A1KDM4EAPLNRMAPTMAPK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8263624-B2 | Aryl-substituted heterocycles, and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-09-11 | — | — | US | disclosed |
| US-8263624-B2 | Aryl-substituted heterocycles, and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-09-11 | — | — | US | disclosed |
| US-8263624-B2 | Aryl-substituted heterocycles, and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-09-11 | — | — | US | disclosed |
| US-20100029651-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | BAYER HEALTHCARE AG | 2010-02-04 | — | — | US | disclosed |
| US-20100029651-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | BAYER HEALTHCARE AG | 2010-02-04 | — | — | US | disclosed |
| US-20100029651-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | BAYER HEALTHCARE AG | 2010-02-04 | — | — | US | disclosed |
| WO-2007137791-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | BAYER HEALTHCARE AG (DE) | 2007-12-06 | — | — | 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-20100029651-A1 | ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF | AHR, CYP2C19, PAH | ALDH1A1 318/4885KDM4E 1481/4885OPRM1 2106/4885 |
“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.