Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 6/20 | 0.46 |
| ▸ | P2RX2 | Q9UBL9 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1493928 | 0.82 | P2RX3 (0.48) | P2RX3P2RX2SMN1; SMN2DHFRHTT | |
| SCHEMBL4766581 | 0.82 | CASP3 (0.41) | CASP3SENP6 | |
| SCHEMBL4766704 | 0.80 | P2RX3 (0.72) | P2RX3P2RX2DHFRHTT | |
| SCHEMBL5530269 | 0.77 | P2RX3 (0.44) | P2RX3P2RX2SMN1; SMN2DHFRCDK1 | |
| SCHEMBL2150230 | 0.76 | P2RX3 (0.61) | P2RX3P2RX2 | |
| SCHEMBL4764546 | 0.75 | KDM4E (0.48) | HTT | |
| SCHEMBL4765000 | 0.68 | PDE4A (0.47) | — | |
| SCHEMBL1494072 | 0.67 | P2RX3 (0.69) | P2RX3P2RX2DHFRHTT | |
| SCHEMBL29659630 | 0.67 | DHFR (0.56) | SMN1; SMN2DHFR | |
| SCHEMBL14855000 | 0.66 | MAPT (0.50) | SMN1; SMN2DHFRCDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2343282-B1 | Diaminopyrimidines as P2X3 and P2X2/3 antagonists | HOFFMANN LA ROCHE (CH) | 2015-07-22 | — | — | EP | disclosed |
| EP-1924264-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007025925-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-08 | — | — | WO | disclosed |
| EP-1725540-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005095359-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |