Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.39 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.36 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1085077 | 1.00 | CCR5 (0.42) | CCR5SLC6A7USP30HSD11B1MGLL | |
| SCHEMBL1085279 | 0.90 | EPHX2 (0.43) | CCR5HSD11B1MGLLCHRM3EPHX2 | |
| SCHEMBL1083701 | 0.90 | EPHX2 (0.43) | CCR5HSD11B1MGLLCHRM3EPHX2 | |
| SCHEMBL1083695 | 0.88 | ALDH1A1 (0.38) | CCR5SLC6A7USP30HSD11B1MGLL | |
| SCHEMBL1085293 | 0.88 | ALDH1A1 (0.38) | CCR5SLC6A7USP30HSD11B1MGLL | |
| SCHEMBL1083706 | 0.86 | TRPV1 (0.47) | CCR5CHRM3 | |
| SCHEMBL1085174 | 0.86 | TRPV1 (0.47) | CCR5CHRM3 | |
| SCHEMBL1083700 | 0.84 | L3MBTL3 (0.47) | CCR5SLC6A7HSD11B1MGLLDHODH | |
| SCHEMBL1085088 | 0.83 | MAPK7 (0.41) | SLC6A7HSD11B1MGLLMAP3K7TAB1 | |
| SCHEMBL1083744 | 0.83 | MAPK7 (0.41) | SLC6A7HSD11B1MGLLMAP3K7TAB1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153805-B2 | Biaryl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-04-10 | — | — | US | disclosed |
| US-8153805-B2 | Biaryl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-04-10 | — | — | US | disclosed |
| US-8153805-B2 | Biaryl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-04-10 | — | — | US | disclosed |
| WO-2009043747-A2 | N-HETEROCYCLIC BIARYL CARBOXAMIDES AS CCR RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-09 | — | — | WO | disclosed |
| US-20090048238-A1 | NOVEL BIARYL DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-02-19 | — | — | US | disclosed |
| US-20090048238-A1 | NOVEL BIARYL DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-02-19 | — | — | US | disclosed |
| US-20090048238-A1 | NOVEL BIARYL DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-02-19 | — | — | 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-20090048238-A1 | NOVEL BIARYL DERIVATIVES | CCR3, CCRL2, CCR2 | CCR5 5/4885SLC6A7 1980/4885USP30 2844/4885 |
“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.