Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY14 | Q15391 | 5/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | CTRC | Q99895 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | FABP1 | P07148 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 2/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2274756 | 1.00 | P2RY14 (0.42) | P2RY14DHODHCTRCNR4A1RXRA | |
| SCHEMBL3720197 | 0.88 | P2RX3 (0.35) | P2RY14P2RX3P2RX2 | |
| SCHEMBL2271062 | 0.87 | CYP11B1 (0.39) | P2RX3P2RX2ALDH1A1MAPTTDP1 | |
| SCHEMBL4178348 | 0.86 | P2RY14 (0.40) | P2RY14DHODHCTRCNR4A1RXRA | |
| SCHEMBL2275029 | 0.80 | — | — | |
| SCHEMBL4177211 | 0.80 | P2RY14 (0.42) | P2RY14DHODHCTRCNR4A1RXRA | |
| SCHEMBL4051058 | 0.80 | P2RX3 (0.46) | P2RY14DHODHCTRCRXRARXRB | |
| SCHEMBL2278513 | 0.78 | DHODH (0.42) | P2RY14DHODHCTRCNR4A1RXRA | |
| SCHEMBL2271968 | 0.77 | P2RX3 (0.66) | P2RX3P2RX2 | |
| SCHEMBL3727443 | 0.77 | DHODH (0.41) | P2RY14DHODHCTRCNR4A1RXRA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225213-A1 | TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009077366-A1 | TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-25 | — | — | WO | disclosed |