Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4771360 | 0.81 | ALDH1A1 (0.49) | NPC1RAB9ASMN1; SMN2MAPTPOLB | |
| SCHEMBL1494081 | 0.75 | ALDH1A1 (0.54) | MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL22166698 | 0.70 | CYP1A2 (0.71) | MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL21483747 | 0.69 | NPC1 (0.51) | NPC1RAB9ANPSR1MEN1KMT2A | |
| SCHEMBL21851964 | 0.69 | AAK1 (0.62) | NPC1RAB9AAAK1NPSR1MEN1 | |
| SCHEMBL26832838 | 0.68 | NPC1 (0.39) | NPC1RAB9AAAK1MEN1KMT2A | |
| SCHEMBL2592262 | 0.68 | CA12 (0.57) | RAB9ANPSR1 | |
| SCHEMBL9118398 | 0.67 | APLNR (0.56) | — | |
| SCHEMBL21852785 | 0.67 | NPC1 (0.64) | NPC1RAB9ANPSR1SMN1; SMN2CYP1A2 | |
| SCHEMBL21339518 | 0.66 | GABRA1 (0.46) | MEN1KMT2AALDH1A1 |
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 |