Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10104386 | 0.85 | NOS2 (0.43) | NOS1CYP19A1UGT1A4PDE4DNOS2 | |
| SCHEMBL10104262 | 0.78 | NOS1 (0.45) | CYP2D6OPRM1DRD3NOS1NOS2 | |
| SCHEMBL19006935 | 0.76 | NOS1 (0.41) | CYP2D6NOS1NOS2 | |
| SCHEMBL10701617 | 0.74 | CYP19A1 (0.39) | CYP19A1UGT1A4PDE4D | |
| SCHEMBL1172829 | 0.74 | CYP19A1 (0.42) | CYP19A1UGT1A4PDE4D | |
| SCHEMBL10104411 | 0.74 | THRB (0.44) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL4397985 | 0.69 | GABRA1 (0.39) | CYP19A1UGT1A4PDE4D | |
| SCHEMBL10104293 | 0.69 | NOS1 (0.44) | CYP2D6OPRM1DRD3NOS1NOS2 | |
| SCHEMBL24454561 | 0.66 | RAPGEF4 (0.42) | CYP19A1UGT1A4PDE4D | |
| SCHEMBL10222049 | 0.66 | CYP19A1 (0.34) | CYP19A1UGT1A4PDE4D |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8889665-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-18 | — | — | US | disclosed |
| 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 |
| US-20110183952-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-28 | — | — | 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 (3 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-20110183952-A1 | NEW CHEMICAL COMPOUNDS | MKI67, CCNA1, CCNT1 | CYP2D6 451/4885DRD2 1976/4885DRD4 965/4885 |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | CCNA1, CCNT1, MKI67 | CYP2D6 554/4885DRD2 2798/4885DRD4 1439/4885 |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | CCNT1, CCNA1, CCND1 | CYP2D6 470/4885DRD2 2828/4885DRD4 1089/4885 |
“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.