Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | RORC | P51449 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4176871 | 0.83 | TDP1 (0.56) | ALDH1A1SMN1; SMN2TDP1RORCMAPK1 | |
| SCHEMBL11166803 | 0.82 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2TDP1RORCMAPK1 | |
| SCHEMBL4764599 | 0.81 | NPC1 (0.46) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL25142579 | 0.77 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TDP1RORCMAPK1 | |
| SCHEMBL4979237 | 0.77 | GABRA1 (0.49) | ALDH1A1SMN1; SMN2TDP1MAPK1LMNA | |
| SCHEMBL30492996 | 0.76 | SMN1; SMN2 (0.68) | ALDH1A1SMN1; SMN2MAPK1LMNAALOX15 | |
| SCHEMBL1851780 | 0.76 | SMN1; SMN2 (0.68) | ALDH1A1SMN1; SMN2MAPK1LMNAALOX15 | |
| SCHEMBL27481222 | 0.76 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2TDP1RORCMAPK1 | |
| SCHEMBL27538540 | 0.76 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2TDP1RORCMAPK1 | |
| SCHEMBL1494081 | 0.76 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2TDP1RORCMAPK1 |
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 |