Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10104434 | 0.85 | CYP2C19 (0.56) | CYP2D6SLC6A4CYP2C19HTTALOX15 | |
| SCHEMBL5110263 | 0.84 | SLC6A4 (0.46) | CYP3A4CYP2D6SLC6A4CYP2C19HTT | |
| SCHEMBL10104519 | 0.82 | HTT (0.35) | SLC6A4HTTSLC6A2SMN1; SMN2KDM4E | |
| SCHEMBL13130472 | 0.81 | CYP2D6 (0.39) | CYP3A4CYP2D6SLC6A4CYP2C19HTT | |
| SCHEMBL14943430 | 0.79 | TSHR (0.40) | SLC6A4HTR2AKCNH2SLC6A2SLC6A3 | |
| SCHEMBL5110256 | 0.78 | SLC6A4 (0.42) | CYP3A4CYP2D6SLC6A4CYP2C19HTT | |
| SCHEMBL15743685 | 0.78 | RAPGEF4 (0.39) | SMN1; SMN2ALDH1A1GAAL3MBTL1 | |
| SCHEMBL10104537 | 0.75 | SLC6A4 (0.37) | CYP3A4CYP2D6SLC6A4HTR2AKCNH2 | |
| SCHEMBL4941008 | 0.72 | ACHE (0.43) | CYP2D6SLC6A4HTR2AKCNH2SLC6A2 | |
| SCHEMBL10104475 | 0.72 | CYP2C19 (0.41) | CYP2D6CYP2C19HTTALOX15MAPK1 |
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-8778929-B2 | Substituted heteroaryl inhibitors of B-RAF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-15 | — | — | US | disclosed |
| US-8653087-B2 | Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-18 | — | — | US | disclosed |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-19 | — | — | US | disclosed |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| WO-2009003998-A2 | ANTIPROLIFERATIVE COMPOUNDS BASED ON 5-MEMBERED HETEROCYCLES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-01-08 | — | — | 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 (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-20110312939-A1 | NEW CHEMICAL COMPOUNDS | CCNA1, CCNT1, MKI67 | CYP3A4 1111/4885CYP2D6 554/4885SLC6A4 4238/4885 |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | CCNT1, CCNA1, CCND1 | CYP3A4 688/4885CYP2D6 470/4885SLC6A4 1991/4885 |
“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.