Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGAV | P06756 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL364041 | 0.81 | IDO1 (0.33) | — | |
| SCHEMBL3175001 | 0.80 | CES2 (0.43) | CES2CACNA1HCACNA1BCACNA1CAR | |
| SCHEMBL364195 | 0.79 | RAC1 (0.35) | ARALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL12654823 | 0.74 | TRPV4 (0.41) | ARALDH1A1 | |
| SCHEMBL3190807 | 0.72 | CES2 (0.40) | CES2CACNA1HCACNA1BCACNA1CAR | |
| SCHEMBL16488279 | 0.71 | CES2 (0.46) | CES2PTPN5ALDH1A1CYP3A4MAPT | |
| SCHEMBL11603910 | 0.71 | CES2 (0.43) | CES2CACNA1HCACNA1BCACNA1CAR | |
| SCHEMBL21851641 | 0.70 | ITGB3 (0.45) | CES2ALDH1A1MAPTITGB3ITGAV | |
| SCHEMBL15933661 | 0.69 | CES2 (0.41) | CES2CACNA1HCACNA1BCACNA1CAR | |
| SCHEMBL6756054 | 0.69 | CES2 (0.41) | CES2CACNA1HCACNA1BCACNA1CAR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2311112-B1 | ELECTRONIC DEVICES COMPRISING METAL COMPLEXES HAVING ISONITRILE LIGANDS | MERCK PATENT GMBH (DE) | 2012-03-14 | — | — | EP | disclosed |
| US-20110101327-A1 | Electronic Devices Comprising Metal Complexes Having Isonitrile Ligands | MERCK PATENT GMBH (DE) | 2011-05-05 | — | — | US | disclosed |
| WO-2010015307-A1 | ELECTRONIC DEVICES COMPRISING METAL COMPLEXES HAVING ISONITRILE LIGANDS | MERCK PATENT GMBH (DE) | 2010-02-11 | — | — | 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-20110101327-A1 | Electronic Devices Comprising Metal Complexes Having Isonitrile Ligands | EXOC4, ICMT, NCLN | CES2 2721/4885PTPN5 2257/4885CACNA1H 521/4885 |
“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.