Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.33 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.33 |
| ▸ | GRIK4 | Q16099 | 1/20 | 0.33 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL20878810 | 0.86 | HSD11B1 (0.34) | ALDH1A1HSD11B1AKR1C3AKR1C1MEN1 | |
| SCHEMBL1432885 | 0.83 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL14875617 | 0.77 | AKR1C3 (0.32) | AKR1C3AKR1C1GRIK1GRIA1GRIA2 | |
| SCHEMBL7419212 | 0.76 | CYP1A2 (0.45) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL18527521 | 0.76 | CYP1A2 (0.45) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL14484945 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL8740473 | 0.74 | HSD11B1 (0.35) | ALDH1A1HSD11B1AKR1C3CYP1A2CYP2C19 | |
| SCHEMBL15840889 | 0.72 | HSD11B1 (0.42) | HSD11B1MEN1KMT2A | |
| Hydrazine SCHEMBL1431817 | 0.70 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL3212513 | 0.70 | AKR1C3 (0.50) | ALDH1A1HSD11B1AKR1C3AKR1C1MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150349277-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2015-12-03 | — | — | US | disclosed |
| US-20150349277-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2015-12-03 | — | — | US | disclosed |
| US-20150333280-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2015-11-19 | — | — | US | disclosed |
| US-20150333280-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2015-11-19 | — | — | US | disclosed |
| WO-2014094961-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014094960-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2014-06-26 | — | — | 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 (2 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-20150333280-A1 | Metal Complexes | SOD1, AP1M1, AP3M1 | ALDH1A1 3721/4885HSD11B1 4370/4885AKR1C3 4365/4885 |
| US-20150349277-A1 | METAL COMPLEXES | SOD1, AP1M1, AP3M1 | ALDH1A1 3721/4885HSD11B1 4370/4885AKR1C3 4365/4885 |
“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.