Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 9/20 | 0.35 |
| ▸ | P2RX2 | Q9UBL9 | 9/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.34 |
| ▸ | HTR2C | P28335 | 4/20 | 0.34 |
| ▸ | HTR2B | P41595 | 4/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 2/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.30 |
| ▸ | HTR6 | P50406 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4933044 | 0.87 | P2RX3 (0.36) | P2RX3P2RX2HTR2AHTR2CHTR2B | |
| SCHEMBL1494330 | 0.86 | HTR2A (0.38) | P2RX3P2RX2HTR2AHTR2CHTR2B | |
| SCHEMBL1494334 | 0.81 | P2RX3 (0.39) | P2RX3P2RX2HTR2AHTR2CHTR2B | |
| SCHEMBL1494173 | 0.78 | CYP3A4 (0.41) | P2RX3P2RX2HTR2AHTR2CHTR2B | |
| SCHEMBL1494332 | 0.72 | HTR2A (0.51) | P2RX3P2RX2HTR2AHTR2CHTR2B | |
| SCHEMBL2485209 | 0.71 | P2RX3 (0.50) | P2RX3P2RX2HTR2AHTR2CHTR2B | |
| SCHEMBL1494241 | 0.69 | HTR2A (0.42) | P2RX3P2RX2HTR2AHTR2CHTR2B | |
| SCHEMBL12758970 | 0.68 | POLB (0.33) | — | |
| SCHEMBL14566485 | 0.68 | ALDH1A1 (0.36) | P2RX3P2RX2HTR2CCYP1A2CYP2D6 | |
| SCHEMBL12462185 | 0.68 | HTR1A (0.43) | P2RX3P2RX2HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| 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 |