Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CMA1 | P23946 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | PLIN5 | Q00G26 | 2/20 | 0.48 |
| ▸ | ABHD5 | Q8WTS1 | 2/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7047613 | 0.77 | RAB9A (0.49) | ALDH1A1GLATDP1HDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL7047614 | 0.77 | RAB9A (0.49) | ALDH1A1GLATDP1HDAC3HDAC4 | |
| E-Methyl Cinnamate SCHEMBL901224 | 0.75 | CA12 (0.69) | ALDH1A1CMA1GLATDP1HDAC3 | |
| E-Methyl Cinnamate SCHEMBL101530 | 0.75 | CA12 (0.69) | ALDH1A1CMA1GLATDP1HDAC3 | |
| E-Methyl Cinnamate SCHEMBL112062 | 0.75 | CA12 (0.69) | ALDH1A1CMA1GLATDP1HDAC3 | |
| E-Methyl Cinnamate SCHEMBL1862419 | 0.75 | CA12 (0.69) | ALDH1A1CMA1GLATDP1HDAC3 | |
| SCHEMBL8036556 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CMA1GLATDP1HDAC3 | |
| SCHEMBL13170487 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CMA1GLATDP1HDAC3 | |
| SCHEMBL13177035 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CMA1GLATDP1HDAC3 | |
| E-Methyl Cinnamate SCHEMBL2425288 | 0.75 | CA12 (0.69) | ALDH1A1CMA1GLATDP1HDAC3 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7592360-B2 | Parkinson's disease, Alzheimer's disease, migraine, epilepsy, and pain | MERCK & CO., INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592360-B2 | Parkinson's disease, Alzheimer's disease, migraine, epilepsy, and pain | MERCK & CO., INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-20090124600-A1 | N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists | MERCK SHARP & DOHME CORP. | 2009-05-14 | — | — | US | disclosed |
| US-20090124600-A1 | N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists | MERCK SHARP & DOHME CORP. | 2009-05-14 | — | — | US | disclosed |
| US-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| EP-1648882-B1 | 3-FLUORO-PIPERIDINES AS NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2008-08-06 | — | — | EP | disclosed |
| US-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | MERCK SHARP & DOHME CORP. | 2007-12-20 | — | — | US | disclosed |
| US-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | MERCK SHARP & DOHME CORP. | 2007-12-20 | — | — | US | disclosed |
| US-20070149568-A1 | N-substituted nonaryl-heterocyclic nmda/nr2b antagonists | MERCK SHARP & DOHME LLC | 2007-06-28 | — | — | US | disclosed |
| US-20070149568-A1 | N-substituted nonaryl-heterocyclic nmda/nr2b antagonists | MERCK SHARP & DOHME LLC | 2007-06-28 | — | — | 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 |
| 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 |
| EP-1656379-B1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2006113471-A2 | N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-10-26 | — | — | WO | disclosed |
| WO-2006017409-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-02-16 | — | — | WO | disclosed |
| WO-2005019221-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| WO-2005019222-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| WO-2004108705-A1 | 3-FLUORO-PIPERIDINES AS NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2004-12-16 | — | — | 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 (4 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-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | GRIN2B, GRIN2A, GRIN1 | ALDH1A1 751/4885CMA1 4472/4885GLA 3172/4885 |
| US-20090124600-A1 | N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists | GRIN2B, GRIN2A, GRIN1 | ALDH1A1 610/4885CMA1 4467/4885GLA 2301/4885 |
| US-20070149568-A1 | N-substituted nonaryl-heterocyclic nmda/nr2b antagonists | GRIN2B, GRIN1, GRIN2A | ALDH1A1 3147/4885CMA1 3582/4885GLA 3841/4885 |
| 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 636/4885CMA1 3175/4885GLA 845/4885 |
“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.