Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.68 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.68 |
| ▸ | P2RX3 | P56373 | 14/20 | 0.57 |
| ▸ | KIF11 | P52732 | 1/20 | 0.56 |
| ▸ | IDH1 | O75874 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 2/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5439917 | 0.83 | DRD2 (0.67) | DRD2TBXA2RP2RX3KIF11IDH1 | |
| SCHEMBL18835646 | 0.81 | CNR2 (0.53) | DRD2TBXA2RCNR2 | |
| SCHEMBL15016398 | 0.80 | DRD2 (0.58) | DRD2TBXA2RP2RX3 | |
| SCHEMBL5364326 | 0.79 | DRD2 (0.64) | DRD2TBXA2RP2RX3KIF11 | |
| SCHEMBL8025911 | 0.78 | KDM4E (0.70) | DRD2TBXA2R | |
| SCHEMBL5435578 | 0.78 | DRD2 (0.58) | DRD2TBXA2RP2RX3KIF11 | |
| SCHEMBL15015844 | 0.75 | P2RX3 (0.56) | DRD2TBXA2RP2RX3 | |
| SCHEMBL13982891 | 0.74 | KIF11 (0.65) | DRD2TBXA2RP2RX3KIF11 | |
| SCHEMBL10055231 | 0.73 | P2RX3 (1.00) | P2RX3 | |
| SCHEMBL19987318 | 0.73 | KDM4E (0.68) | KIF11CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2604260-B1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | SHIONOGI & CO (JP) | 2017-05-10 | — | — | EP | disclosed |
| US-9212130-B2 | Heterocyclic derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-9212130-B2 | Heterocyclic derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO., LTD. (JP) | 2013-08-29 | — | — | US | disclosed |
| WO-2012020742-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2012-02-16 | — | — | 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 (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-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | P2RX3, P2RX6, P2RX2 | DRD2 642/4885TBXA2R 119/4885P2RX3 1/4885 |
“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.