Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4787 | 0.88 | CTSS (0.60) | CTSSIDO1XDHKMOKDM4E | |
| SCHEMBL5650095 | 0.84 | SCN9A (0.46) | TRPV3GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL4455081 | 0.82 | KDM4E (0.41) | CTSSGABRA1S1PR1S1PR3KDM4E | |
| SCHEMBL19072770 | 0.80 | CTSS (0.47) | CTSSTRPV3IDO1XDHS1PR1 | |
| SCHEMBL19072771 | 0.80 | CTSS (0.47) | CTSSTRPV3GABRA1GABRG2GABRB3 | |
| SCHEMBL17207482 | 0.79 | CCR1 (0.52) | CTSSTRPV3KMOKDM1A | |
| SCHEMBL12538467 | 0.75 | CTSS (0.43) | CTSSTRPV3IDO1XDHKMO | |
| SCHEMBL15244774 | 0.75 | TRPV3 (0.53) | CTSSTRPV3ADORA2AADORA1KDM1A | |
| SCHEMBL13057059 | 0.73 | CTSS (0.46) | CTSSTRPV3KMOADORA2AADORA1 | |
| SCHEMBL3564206 | 0.72 | KDM4E (0.47) | GABRA1GABRG2GABRB3GABRA3KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090030012-A1 | Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2009-01-29 | — | — | US | disclosed |
| US-20090030012-A1 | Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2009-01-29 | — | — | US | disclosed |
| US-20090030012-A1 | Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2009-01-29 | — | — | US | disclosed |
| EP-1988900-A2 | PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007100610-A2 | PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2007-09-07 | — | — | WO | disclosed |
| WO-2007100610-A2 | PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2007-09-07 | — | — | 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-20090030012-A1 | Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators | CXCR3, CXCR1, CXCR5 | CTSS 4680/4885TRPV3 310/4885IDO1 256/4885 |
“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.