Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.57 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.47 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.45 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12419752 | 0.93 | KCNH2 (0.53) | KCNH2ENPP2SMYD3GRIN2DGRIN3B | |
| SCHEMBL12508758 | 0.88 | GRIN2D (0.51) | KCNH2ENPP2SMYD3GRIN2DGRIN3B | |
| SCHEMBL12508756 | 0.87 | KCNH2 (0.60) | KCNH2ENPP2CACNA1ISMYD3ATXN2 | |
| SCHEMBL12508973 | 0.86 | GRIN2D (0.55) | KCNH2ENPP2SMYD3GRIN2DGRIN3B | |
| SCHEMBL12508519 | 0.85 | ENPP2 (0.54) | KCNH2ENPP2SMYD3GRIN2DGRIN3B | |
| SCHEMBL12419750 | 0.85 | CETP (0.51) | KCNH2ENPP2SMYD3GRIN2DGRIN3B | |
| SCHEMBL12508671 | 0.85 | KCNH2 (0.47) | KCNH2ENPP2 | |
| SCHEMBL12508667 | 0.85 | ENPP2 (0.49) | KCNH2ENPP2SMYD3GRIN2DGRIN3B | |
| SCHEMBL12508760 | 0.84 | KCNH2 (0.53) | KCNH2ENPP2CACNA1ISMYD3GRIN2D | |
| SCHEMBL12508668 | 0.84 | GRIN2D (0.49) | KCNH2ENPP2SMYD3GRIN2DGRIN3B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110172415-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | SHIONOGI & CO., LTD. (JP) | 2011-07-14 | — | — | US | disclosed |
| US-7935706-B2 | Nitrogen-containing heterocycle derivatives substituted with cyclic group | SHIONOGI & CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |
| US-7935706-B2 | Nitrogen-containing heterocycle derivatives substituted with cyclic group | SHIONOGI & CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |
| US-20090062261-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | SHIONOGI & CO., LTD. (JP) | 2009-03-05 | — | — | US | disclosed |
| US-20090062261-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | SHIONOGI & CO., LTD. (JP) | 2009-03-05 | — | — | 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 (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-20110172415-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | NR4A1, NR0B2, NR0B1 | KCNH2 1055/4885ENPP2 3898/4885CACNA1I 786/4885 |
| US-20090062261-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | NR4A1, NR0B2, NR0B1 | KCNH2 1055/4885ENPP2 3898/4885CACNA1I 786/4885 |
“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.