Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | TLR4 | O00206 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | CPB1 | P15086 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 3/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5011213 | 1.00 | ALDH1A1 (0.55) | ALDH1A1GAATSHRTLR4EPHX1 | |
| SCHEMBL2992037 | 0.94 | ALDH1A1 (0.62) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL2992039 | 0.94 | ALDH1A1 (0.62) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL5007203 | 0.94 | ALDH1A1 (0.62) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL9471139 | 0.92 | ALDH1A1 (0.52) | ALDH1A1GAATSHRTLR4EPHX1 | |
| SCHEMBL328917 | 0.88 | EPHX1 (0.57) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL19863575 | 0.86 | CPB1 (0.48) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL20991956 | 0.86 | CPB1 (0.48) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL19456282 | 0.84 | CPB1 (0.47) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL29595972 | 0.84 | CPB1 (0.47) | ALDH1A1GAATSHREPHX1CPB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20070037829-A1 | e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients | MERCK & CO., INC. (US) | 2007-02-15 | — | — | 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-20070037829-A1 | e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients | GRIN2B, GRIN3A, GRIN2A | ALDH1A1 636/4885GAA 171/4885TSHR 2936/4885 |
“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.