Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2029305 | 0.83 | CCR5 (0.38) | CCR5HDAC1HDAC2HDAC3ABL1 | |
| SCHEMBL2036069 | 0.74 | MAPK13 (0.32) | TRPV1 | |
| SCHEMBL2032961 | 0.71 | MAPK13 (0.33) | — | |
| SCHEMBL2029875 | 0.71 | TRPV1 (0.32) | TRPV1 | |
| SCHEMBL4877851 | 0.69 | MAPK14 (0.49) | — | |
| SCHEMBL2031846 | 0.67 | MDM2 (0.34) | — | |
| SCHEMBL375156 | 0.67 | MAPK14 (0.40) | — | |
| Hydrochloric Acid SCHEMBL2029284 | 0.66 | MAPK13 (0.41) | IDO1 | |
| SCHEMBL4879034 | 0.64 | MAPK14 (0.39) | — | |
| SCHEMBL4879036 | 0.64 | MAPK14 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968572-B2 | Nitrogen-containing heterocyclic compound and pharmaceutical application thereof | ONO PHARMACEUTICALS CO., LTD. (JP) | 2011-06-28 | — | — | US | disclosed |
| US-20100063104-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | ONO PHARMACEUTICAL CO., LTD., (JP) | 2010-03-11 | — | — | US | disclosed |
| EP-1932840-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-06-18 | — | — | EP | 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-20100063104-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | NOS2, NOS1, MAPK1 | CCR5 96/4885HDAC1 974/4885HDAC2 1479/4885 |
“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.