Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6300208 | 0.83 | KDM4E (0.39) | KDM4EALDH1A1HTTATMCYP2D6 | |
| SCHEMBL1494053 | 0.81 | KDM4E (0.36) | KDM4EALDH1A1GLAHPGDHTT | |
| SCHEMBL5530265 | 0.76 | KDM4E (0.34) | KDM4EALDH1A1HTTATMCYP2D6 | |
| SCHEMBL2150715 | 0.74 | KDM4E (0.44) | KDM4EALDH1A1GLAHPGDHTT | |
| SCHEMBL540 | 0.73 | KDM4E (0.50) | KDM4EALDH1A1HPGDHTTATM | |
| SCHEMBL7437662 | 0.72 | ABCB1 (0.45) | — | |
| SCHEMBL5258630 | 0.71 | KDM4E (0.42) | KDM4EALDH1A1HPGDHTTLMNA | |
| SCHEMBL19002079 | 0.71 | KDM4E (0.41) | KDM4EALDH1A1GLAHPGDHTT | |
| SCHEMBL11833922 | 0.71 | KDM4E (0.41) | KDM4EALDH1A1GLAHPGDHTT | |
| SCHEMBL10536427 | 0.71 | KDM4E (0.40) | KDM4EALDH1A1HPGDHTTATM |
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 |