Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12414850 | 1.00 | HRH3 (0.49) | HRH3KCNH2OPRK1OPRD1NPC1 | |
| SCHEMBL12414851 | 1.00 | HRH3 (0.49) | HRH3KCNH2OPRK1OPRD1NPC1 | |
| SCHEMBL12413722 | 0.97 | OPRK1 (0.49) | HRH3OPRK1OPRD1NPC1CYP1A2 | |
| SCHEMBL12413718 | 0.95 | HRH3 (0.51) | HRH3OPRK1OPRD1NPC1CYP1A2 | |
| SCHEMBL14557854 | 0.87 | ITGB1 (0.47) | HRH3KCNH2TDP1 | |
| SCHEMBL12413740 | 0.87 | UTS2R (0.47) | HRH3OPRK1OPRD1NPC1CYP1A2 | |
| SCHEMBL19432460 | 0.82 | SMN1; SMN2 (0.49) | NPC1 | |
| SCHEMBL12847184 | 0.82 | HRH3 (0.52) | HRH3KCNH2OPRK1OPRD1NPC1 | |
| SCHEMBL7539826 | 0.82 | POLB (0.59) | PMP22 | |
| SCHEMBL9675542 | 0.82 | POLB (0.59) | PMP22 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293729-B2 | Compounds, pharmaceutical composition and methods relating thereto | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-8293729-B2 | Compounds, pharmaceutical composition and methods relating thereto | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-07 | — | — | US | disclosed |
| US-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-07 | — | — | 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 (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-20110166116-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | MC2R, REN, CYP11B2 | HRH3 642/4885KCNH2 2188/4885OPRK1 1016/4885 |
“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.