Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.33 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29833401 | 0.81 | GABRA1 (0.37) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| SCHEMBL364195 | 0.79 | RAC1 (0.35) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| SCHEMBL18805066 | 0.76 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| SCHEMBL361328 | 0.73 | CA2 (0.48) | ALDH1A1CA2TSHRTDP1 | |
| SCHEMBL364394 | 0.73 | CA1 (0.39) | SMN1; SMN2ALDH1A1CA2CYP2C9CYP2C19 | |
| SCHEMBL14337337 | 0.73 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| SCHEMBL809295 | 0.72 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| SCHEMBL11417250 | 0.71 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| SCHEMBL7047479 | 0.71 | ALDH1A1 (0.62) | SMN1; SMN2ALDH1A1CA2POLBTYR | |
| SCHEMBL434782 | 0.69 | ALDH1A1 (0.59) | SMN1; SMN2ALDH1A1CA2POLBTYR |
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 2 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 |
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 | SMN1; SMN2 4070/4885ALDH1A1 2323/4885CA2 2724/4885 |
“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.