Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2995209 | 0.91 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2 | |
| SCHEMBL27831504 | 0.90 | CYP2A6 (0.43) | ALDH1A1HSD17B10HIF1ACYP2A6CYP1A2 | |
| SCHEMBL27717449 | 0.88 | CYP2A6 (0.42) | ALDH1A1HSD17B10HIF1ACYP2A6CYP1A2 | |
| SCHEMBL31290733 | 0.88 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2 | |
| SCHEMBL2859818 | 0.86 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2 | |
| SCHEMBL1527430 | 0.86 | HPRT1 (0.54) | ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6 | |
| SCHEMBL1815030 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6 | |
| SCHEMBL2867368 | 0.84 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6 | |
| SCHEMBL1689466 | 0.83 | ESR1 (0.44) | ALDH1A1HDAC8HDAC6HPGDGRM2 | |
| SCHEMBL1816243 | 0.82 | ESR1 (0.46) | ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120217449-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2012-08-30 | — | — | US | disclosed |
| US-20120217449-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2012-08-30 | — | — | US | disclosed |
| US-20120217449-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2012-08-30 | — | — | US | disclosed |
| WO-2011054442-A2 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2011-05-12 | — | — | WO | disclosed |
| WO-2011054442-A2 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2011-05-12 | — | — | 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-20120217449-A1 | MATERIALS FOR ELECTRONIC DEVICES | EFNA1, DDT, ERCC1 | ALDH1A1 261/4885HSD17B10 3445/4885CYP1B1 417/4885 |
“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.