Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | KMO | O15229 | 2/20 | 0.55 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | CTSA | P10619 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1420936 | 0.90 | KMO (0.53) | XDHALDH1A1SMN1; SMN2KMOPIN1 | |
| SCHEMBL1085196 | 0.86 | KMO (0.50) | XDHALDH1A1SMN1; SMN2KMOPIN1 | |
| SCHEMBL1085386 | 0.84 | ALDH1A1 (0.57) | XDHALDH1A1SMN1; SMN2KMOKDM4E | |
| SCHEMBL1085327 | 0.83 | ALDH1A1 (0.59) | XDHALDH1A1SMN1; SMN2KMOPIN1 | |
| SCHEMBL1085393 | 0.83 | ALDH1A1 (0.41) | XDHALDH1A1SMN1; SMN2KMOPIN1 | |
| SCHEMBL1085051 | 0.82 | XDH (0.49) | XDHCTSKDHODHADORA2ACTSS | |
| SCHEMBL1085063 | 0.80 | KMO (0.46) | XDHALDH1A1SMN1; SMN2KMOPIN1 | |
| SCHEMBL1421332 | 0.79 | MAPT (0.51) | XDHALDH1A1SMN1; SMN2KMOPIN1 | |
| SCHEMBL10916325 | 0.79 | ALDH1A1 (0.62) | XDHALDH1A1SMN1; SMN2KMOPIN1 | |
| SCHEMBL1085249 | 0.77 | KMO (0.43) | XDHALDH1A1SMN1; SMN2KMOPIN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8153805-B2 | Biaryl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-04-10 | — | — | US | disclosed |
| CN-101801952-A | N-heterocyclic biaryl carboxamides as ccr receptor antagonists | HOFFMANN LA ROCHE | 2010-08-11 | — | — | CN | 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 | XDH 267/4885ALDH1A1 1202/4885SMN1; SMN2 3658/4885 |
“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.