Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL45869 | 0.77 | KCNH2 (0.52) | PARP1HRH4KCNH2GRIN2DGRIN3B | |
| SCHEMBL4064826 | 0.75 | GABRA1 (0.47) | PARP1HRH4KCNH2GRIN2DGRIN3B | |
| SCHEMBL11564452 | 0.74 | KCNH2 (0.50) | PARP1HRH4KCNH2GRIN2DGRIN3B | |
| SCHEMBL2096973 | 0.71 | KCNH2 (0.43) | PARP1HRH4KCNH2GRIN2DGRIN3B | |
| SCHEMBL6248174 | 0.71 | — | — | |
| SCHEMBL244011 | 0.70 | CCR1 (0.46) | PARP1HRH4KCNH2GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL4990819 | 0.70 | CCR1 (0.46) | NPSR1ALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL91367 | 0.69 | — | — | |
| SCHEMBL24581445 | 0.68 | PARP1 (0.54) | PARP1NPSR1KDM4E | |
| SCHEMBL7685870 | 0.67 | KCNH2 (0.59) | PARP1HRH4KCNH2GRIN2DGRIN3B |
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-20050261497-A1 | Catalytic asymmetric hetero diels-alder reaction of a heteroaromatic C-nitroso dienophile: a novel method for synthesis of chiral non-racemic amino alcohols | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2005-11-24 | — | — | US | disclosed |
| WO-2005068457-A1 | CATALTYTIC ASYMMETRIC HETERO DIELS-ALDER REACTION OF A HETEROAROMATIC C-NITROSO DIENOPHILE: A NOVEL METHOD FOR SYNTHESIS OF CHIRAL NON-RACEMIC AMINO ALCOHOLS | UNIVERSITY OF CHICAGO (US) | 2005-07-28 | — | — | 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 (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-20050261497-A1 | Catalytic asymmetric hetero diels-alder reaction of a heteroaromatic C-nitroso dienophile: a novel method for synthesis of chiral non-racemic amino alcohols | ADH5, ADH1C, ADH1A | PARP1 2997/4885HRH4 948/4885KCNH2 3178/4885 |
“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.