Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.34 |
| ▸ | CDK2 | P24941 | 6/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 6/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12123833 | 0.82 | ALOX5 (0.38) | CYP2D6CYP2C9ADRA2CMAOAADRA1A | |
| SCHEMBL5521073 | 0.82 | ALOX5 (0.49) | CYP2D6CYP2C9ADRA2CMAOAADRA1A | |
| SCHEMBL5521104 | 0.81 | GABBR2 (0.46) | CYP2D6CYP2C9ADRA2CMAOAADRA1A | |
| SCHEMBL12120757 | 0.72 | GABBR2 (0.38) | CYP2D6CYP2C9ADRA2CMAOAADRA1A | |
| SCHEMBL2141423 | 0.71 | DAO (0.64) | CYP2D6CYP2C9ADRA2CMAOAADRA1A | |
| SCHEMBL5510009 | 0.71 | ALOX5 (0.49) | CYP2D6CYP2C9CYP3A4HPGDCYP2C19 | |
| SCHEMBL5515135 | 0.71 | ALOX5 (0.49) | CYP2D6CYP2C9CYP3A4HPGDCYP2C19 | |
| SCHEMBL26169163 | 0.69 | UGT2B7 (0.32) | ADRA2CCCNE1CDK2CDK5CCNT1 | |
| SCHEMBL5511661 | 0.68 | ALOX5 (0.55) | CYP1A2ALOX5 | |
| SCHEMBL27830232 | 0.68 | HPGD (0.53) | CYP2D6CYP2C9ADRA2CMAOAADRA1A |
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-8637549-B2 | Pyridons as PDK1 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |
| US-20110313156-A1 | HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| US-20110269958-A1 | PYRIDONS AS PDK1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-03 | — | — | US | disclosed |
| WO-2010007114-A2 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-21 | — | — | 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-20110313156-A1 | HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS | PDK2, PDK4, CCNH | CYP2D6 4133/4885CYP2C9 4418/4885ADRA2C 4816/4885 |
| US-20110269958-A1 | PYRIDONS AS PDK1 INHIBITORS | PDK1, PDK2, PDK4 | CYP2D6 894/4885CYP2C9 3524/4885ADRA2C 3984/4885 |
“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.