Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.40 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20085577 | 0.77 | CYP2A6 (0.53) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12414649 | 0.74 | S1PR1 (0.41) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27859244 | 0.73 | CYP2A6 (0.61) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1619037 | 0.72 | SMN1; SMN2 (0.55) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24774435 | 0.71 | CYP2A6 (0.46) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30108582 | 0.71 | CYP2A6 (0.46) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24774425 | 0.71 | CYP2A6 (0.46) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12414655 | 0.70 | NOTUM (0.43) | KDM4EALDH1A1PCSK9BRS3MAPT | |
| SCHEMBL19992545 | 0.70 | CYP2A6 (0.58) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13086422 | 0.69 | CYP2A6 (0.47) | CYP2A6CYP1A2CYP2D6CYP2C9CYP2C19 |
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-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 |
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 | CYP2A6 58/4885CYP1A2 278/4885CYP2D6 36/4885 |
“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.