Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21886564 | 0.94 | CYP2D6 (0.43) | CYP2D6KCNH2HRH3DRD2DRD3 | |
| SCHEMBL12385734 | 0.94 | CYP2D6 (0.43) | CYP2D6KCNH2HRH3DRD2DRD3 | |
| SCHEMBL19519581 | 0.94 | CYP2D6 (0.43) | CYP2D6KCNH2HRH3DRD2DRD3 | |
| SCHEMBL1104717 | 0.85 | HRH3 (0.50) | CYP2D6KCNH2HRH3 | |
| SCHEMBL21025310 | 0.85 | HRH3 (0.50) | CYP2D6KCNH2HRH3 | |
| SCHEMBL4099236 | 0.85 | HRH3 (0.50) | CYP2D6KCNH2HRH3 | |
| SCHEMBL16376651 | 0.82 | GAA (0.33) | CYP2D6KCNH2HRH3DRD2DRD3 | |
| SCHEMBL20441232 | 0.80 | CYP2D6 (0.35) | CYP2D6KCNH2HRH3 | |
| SCHEMBL23103585 | 0.78 | HRH3 (0.38) | CYP2D6KCNH2HRH3DRD2DRD3 | |
| SCHEMBL23103588 | 0.78 | HRH3 (0.38) | CYP2D6KCNH2HRH3DRD2DRD3 |
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-20170027956-A1 | HETEROCYCLIC TYROSINE KINASE INHIBITORS | BIOGEN IDEC MA INC. | 2017-02-02 | — | — | US | disclosed |
| US-20160229837-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-08-11 | — | — | 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-20170027956-A1 | HETEROCYCLIC TYROSINE KINASE INHIBITORS | TEC, ABL1, LCK | CYP2D6 4098/4885KCNH2 4105/4885HRH3 1940/4885 |
| US-20160229837-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | PRKACA, PRKDC, PRKACB | CYP2D6 1519/4885KCNH2 3508/4885HRH3 1905/4885 |
“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.