Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2174227 | 0.82 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2173190 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2384753 | 0.76 | P2RX3 (0.59) | CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL311332 | 0.76 | — | — | |
| SCHEMBL5854074 | 0.73 | ALDH1A1 (0.54) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2186327 | 0.73 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2189139 | 0.71 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5853558 | 0.71 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2185308 | 0.70 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2384236 | 0.70 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346825-A2 | MODULATORS OF P2X3 RECEPTOR ACTIVITY | Evotec AG (DE) | 2011-07-27 | — | — | EP | disclosed |