Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL975521 | 0.97 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9CYP19A1CYP2C19 | |
| SCHEMBL977680 | 0.89 | MAPK14 (0.47) | CYP3A4CYP2D6CYP2C9KDM4EALDH1A1 | |
| SCHEMBL976155 | 0.85 | MAPK14 (0.47) | CYP3A4CYP2D6CYP2C9KDM4EALDH1A1 | |
| SCHEMBL19238853 | 0.80 | CYP2A6 (0.52) | CYP3A4ALDH1A1CYP1A2ALOX5APNR1I2 | |
| SCHEMBL975773 | 0.80 | CYP1A2 (0.47) | CYP3A4CYP2D6CYP2C9CYP19A1CYP2C19 | |
| SCHEMBL19238851 | 0.80 | CYP2A6 (0.56) | CYP3A4GRM5ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL977752 | 0.78 | PARP10 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL977769 | 0.78 | NPC1 (0.43) | KDM4EALDH1A1SMN1; SMN2PARP10ALOX5AP | |
| SCHEMBL976551 | 0.77 | PARP10 (0.56) | KDM4EALDH1A1SMN1; SMN2PARP10ALOX5AP | |
| SCHEMBL3713837 | 0.77 | HPGD (0.41) | CYP3A4CYP2D6CYP2C9KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110003815-A1 | DIPHENYL SUBSTITUTED CYCLOALKANES | MERCK & CO., INC. | 2011-01-06 | — | — | US | disclosed |
| EP-2209761-A1 | DIPHENYL SUBSTITUTED CYCLOALKANES | Merck Sharp & Dohme Corp. (US) | 2010-07-28 | — | — | EP | disclosed |
| WO-2009048547-A1 | DIPHENYL SUBSTITUTED CYCLOALKANES | MERCK & CO., INC. (US) | 2009-04-16 | — | — | 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 (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-20110003815-A1 | DIPHENYL SUBSTITUTED CYCLOALKANES | PTGIS, PTGS1, LTC4S | CYP3A4 924/4885CYP2D6 615/4885CYP2C9 1581/4885 |
“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.