Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL11351266 | 0.87 | GABRA1 (0.50) | CA2GABRA1GABRB2TDP1ALDH1A1 | |
| SCHEMBL18389205 | 0.83 | CA2 (0.39) | CA2GABRA1GABRB2TDP1ALDH1A1 | |
| SCHEMBL24246848 | 0.79 | ALOX12 (0.40) | CA2GABRA1GABRB2TDP1ALDH1A1 | |
| SCHEMBL961149 | 0.78 | CA2 (0.46) | CA2GABRA1GABRB2TDP1ALDH1A1 | |
| SCHEMBL25639062 | 0.78 | CA2 (0.34) | CA2GABRA1GABRB2ALDH1A1 | |
| SCHEMBL14930753 | 0.78 | CA2 (0.34) | CA2GABRA1GABRB2 | |
| SCHEMBL24412224 | 0.78 | CA2 (0.38) | CA2GABRA1GABRB2TDP1ALDH1A1 | |
| SCHEMBL16771251 | 0.75 | CA2 (0.48) | CA2GABRA1GABRB2TDP1ALDH1A1 | |
| SCHEMBL364394 | 0.74 | CA1 (0.39) | CA2TDP1ALDH1A1TSHRKIF11 | |
| SCHEMBL242955 | 0.73 | CA2 (0.46) | CA2GABRA1GABRB2TDP1ALDH1A1 |
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 | CA2 2724/4885GABRA1 1035/4885GABRB2 871/4885 |
“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.