Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | RXRB | P28702 | 2/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TACR2 | P21452 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 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 | |
|---|---|---|---|---|
| SCHEMBL1083713 | 1.00 | TACR1 (0.39) | TACR1TRPV1ALDH1A1MEN1KMT2A | |
| SCHEMBL1085147 | 0.92 | KDM1A (0.41) | TRPV1ALDH1A1CHRNB1CHRNB2CHRNB4 | |
| SCHEMBL1083711 | 0.92 | KDM1A (0.41) | TRPV1ALDH1A1CHRNB1CHRNB2CHRNB4 | |
| SCHEMBL1083706 | 0.91 | TRPV1 (0.47) | TRPV1ALDH1A1MEN1KMT2ACCR5 | |
| SCHEMBL1085174 | 0.91 | TRPV1 (0.47) | TRPV1ALDH1A1MEN1KMT2ACCR5 | |
| SCHEMBL1083733 | 0.91 | CHRNB1 (0.41) | TRPV1ALDH1A1MEN1KMT2ACHRNB1 | |
| SCHEMBL1085252 | 0.91 | CHRNB1 (0.41) | TRPV1ALDH1A1MEN1KMT2ACHRNB1 | |
| SCHEMBL1083692 | 0.86 | TRPV1 (0.39) | TACR1TRPV1ALDH1A1MEN1KMT2A | |
| SCHEMBL1085612 | 0.86 | TRPV1 (0.39) | TACR1TRPV1ALDH1A1MEN1KMT2A | |
| SCHEMBL1085279 | 0.84 | EPHX2 (0.43) | CCR5EPHX2 |
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 4 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 |
| EP-2205583-A2 | N-HETEROCYCLIC BIARYL CARBOXAMIDES AS CCR RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-07-14 | — | — | EP | 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 |
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 | TACR1 188/4885TRPV1 196/4885ALDH1A1 1202/4885 |
“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.