Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19501347 | 0.89 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL2105183 | 0.75 | TSHR (0.61) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL10689329 | 0.75 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL11878118 | 0.75 | PLAU (0.50) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL7114444 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL6378439 | 0.73 | TSHR (0.58) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL8440730 | 0.73 | TSHR (0.58) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL23456668 | 0.72 | ALDH1A1 (0.53) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL2659395 | 0.71 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL76981 | 0.71 | TSHR (0.56) | ALDH1A1TSHRTDP1GPR35CYP3A4 |
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 | ALDH1A1 2323/4885TSHR 4338/4885TDP1 3995/4885 |
“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.