Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL7177146 | 0.86 | MAPK1 (0.46) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL29648906 | 0.85 | MAPK1 (0.44) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL60206 | 0.85 | MAPK1 (0.44) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL4462791 | 0.85 | KIF11 (0.45) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL30196175 | 0.85 | KIF11 (0.45) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL3104369 | 0.85 | CYP3A4 (0.50) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL1493109 | 0.85 | CYP3A4 (0.55) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL19500852 | 0.84 | CYP3A4 (0.39) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL9859024 | 0.83 | MAPK1 (0.43) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL9859233 | 0.83 | MAPK1 (0.43) | MAPK1TDP1CYP3A4TRPA1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2491022-B1 | DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2014-12-31 | — | — | EP | disclosed |
| US-8445674-B2 | Heterocyclyl compounds | Hoffmann-La Roche Inc (US) | 2013-05-21 | — | — | US | disclosed |
| EP-2491022-A1 | DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011048032-A1 | DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-28 | — | — | WO | disclosed |
| US-20110092698-A1 | NOVEL HETEROCYCLYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2011-04-21 | — | — | 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-20110092698-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR1 | MAPK1 806/4885TDP1 3246/4885CYP3A4 2387/4885 |
“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.