Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 5/20 | 0.37 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14904831 | 0.87 | ESR1 (0.47) | TIPARPMAPK1LIPGESR1ESR2 | |
| SCHEMBL20424466 | 0.84 | ALDH1A1 (0.43) | XIAPMAPK1ALDH1A1HTR6DRD3 | |
| SCHEMBL20424706 | 0.77 | XIAP (0.38) | XIAPMAPK1ALDH1A1HTR6DRD3 | |
| SCHEMBL20436365 | 0.77 | ALDH1A1 (0.49) | MAPK1ALDH1A1HTR6DRD3DRD2 | |
| SCHEMBL520028 | 0.76 | AKR1C3 (0.44) | ALDH1A1HTR6DRD3DRD2ESR1 | |
| SCHEMBL25734243 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HTR6DRD3HTTTSHR | |
| SCHEMBL16417641 | 0.74 | ESR1 (0.46) | HTR6DRD3LIPGDRD2ESR1 | |
| SCHEMBL19608843 | 0.74 | ESR1 (0.46) | HTR6DRD3DRD2ESR1ESR2 | |
| SCHEMBL1266336 | 0.73 | ESR1 (0.49) | MAPK1ALDH1A1ESR1ESR2TSHR | |
| SCHEMBL23612481 | 0.73 | HTR6 (0.38) | XIAPALDH1A1HTR6DRD3LIPG |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9394263-B2 | Substituted hetero-azepinones | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-19 | — | — | US | disclosed |
| US-9394263-B2 | Substituted hetero-azepinones | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-19 | — | — | US | disclosed |
| US-9394263-B2 | Substituted hetero-azepinones | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-19 | — | — | US | disclosed |
| US-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | HOFFMAN-LA ROCHE INC. (US) | 2015-12-17 | — | — | US | disclosed |
| US-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | HOFFMAN-LA ROCHE INC. (US) | 2015-12-17 | — | — | US | disclosed |
| US-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | HOFFMAN-LA ROCHE INC. (US) | 2015-12-17 | — | — | US | disclosed |
| EP-2882725-A1 | SUBSTITUTED HETERO-AZEPINONES | F. Hoffmann-La Roche AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023708-A1 | SUBSTITUTED HETERO-AZEPINONES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | WO | disclosed |
| WO-2014023708-A1 | SUBSTITUTED HETERO-AZEPINONES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | 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-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | CCNY, CCNE1, CCND3 | XIAP 1935/4885TIPARP 952/4885MAPK1 4251/4885 |
“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.