Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PHGDH | O43175 | 2/20 | 0.41 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12508958 | 0.86 | GRIN2D (0.53) | CA12CA2CA9GRIN2DGRIN3B | |
| SCHEMBL12508960 | 0.83 | CA12 (0.44) | CA12CA2CA9TRPV1AKR1C3 | |
| SCHEMBL12508664 | 0.83 | AKR1C3 (0.43) | CA12CA2CA9TRPV1GRIN2D | |
| SCHEMBL12508755 | 0.82 | TRPV1 (0.50) | CA12CA2CA9TRPV1AKR1C3 | |
| SCHEMBL12508251 | 0.82 | KIT (0.46) | CA12CA2CA9TRPV1AKR1C3 | |
| SCHEMBL12508258 | 0.80 | KDM4E (0.42) | CA12CA2CA9GRIN2DGRIN3B | |
| SCHEMBL12508498 | 0.77 | GRIN1 (0.67) | CA12CA2CA9GRIN2DGRIN3B | |
| SCHEMBL12508954 | 0.76 | MAPT (0.47) | CA12CA2CA9TRPV1AKR1C3 | |
| SCHEMBL12508257 | 0.75 | GRIN2D (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL12508662 | 0.73 | TRPV1 (0.55) | CA12CA2CA9TRPV1RAB9A |
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 | CA12 1849/4885CA2 1032/4885CA9 2111/4885 |
| US-20090062261-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | NR4A1, NR0B2, NR0B1 | CA12 1849/4885CA2 1032/4885CA9 2111/4885 |
“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.