Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.32 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1494121 | 1.00 | ALOX15 (0.35) | ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4 | |
| SCHEMBL16729585 | 0.81 | TP53 (0.38) | TP53MAP3K5AR | |
| SCHEMBL20274232 | 0.80 | PARP1 (0.38) | MAP3K5AR | |
| SCHEMBL16728930 | 0.78 | TP53 (0.38) | TP53MAP3K5AR | |
| SCHEMBL1494430 | 0.78 | HTR2A (0.40) | ALDH1A1RORC | |
| SCHEMBL1493953 | 0.71 | LMNA (0.44) | ALOX15ALDH1A1CYP3A4MAPK1HIF1A | |
| SCHEMBL18712138 | 0.71 | S1PR1 (0.36) | ALDH1A1KDM4EMAPTHTT | |
| SCHEMBL16708694 | 0.69 | MAP3K5 (0.34) | ALDH1A1SMN1; SMN2TP53MAP3K5KDM4E | |
| SCHEMBL20101131 | 0.69 | MAP3K5 (0.33) | ALDH1A1SMN1; SMN2TP53MAP3K5CYP1A2 | |
| SCHEMBL16729581 | 0.69 | KIF11 (0.51) | ALDH1A1MAP3K5KDM4EMAPT |
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-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 |