Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3645037 | 0.93 | HMGCR (0.42) | TAAR1HMGCRERN1ALDH1A1NPC1 | |
| SCHEMBL16445891 | 0.86 | HMGCR (0.56) | HMGCRERN1ALDH1A1IMPDH2AOX1 | |
| SCHEMBL8848996 | 0.83 | TAAR1 (0.47) | TAAR1ALDH1A1NPC1GAAHPGD | |
| SCHEMBL875687 | 0.83 | HMGCR (0.44) | HMGCRERN1ALDH1A1IMPDH2AOX1 | |
| SCHEMBL20445893 | 0.81 | TAAR1 (0.45) | TAAR1ALDH1A1NPC1GAASMN1; SMN2 | |
| SCHEMBL20445931 | 0.81 | TAAR1 (0.47) | TAAR1ALDH1A1NPC1GAASMN1; SMN2 | |
| SCHEMBL4774081 | 0.80 | HMGCR (0.42) | HMGCRTRPV1ERN1ALDH1A1IMPDH2 | |
| SCHEMBL577652 | 0.80 | GAA (0.55) | TAAR1ALDH1A1NPC1GAASMN1; SMN2 | |
| SCHEMBL9953041 | 0.80 | HPGD (0.42) | ERN1ALDH1A1SMN1; SMN2IMPDH2HPGD | |
| SCHEMBL1498785 | 0.78 | ALDH1A1 (0.43) | TAAR1HMGCRERN1ALDH1A1AOX1 |
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 |