Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.34 |
| ▸ | CACNB1 | Q02641 | 3/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL931735 | 0.84 | BLM (0.41) | ALDH1A1L3MBTL1POLBNPSR1KDM4E | |
| SCHEMBL21940819 | 0.81 | HRH3 (0.45) | ALDH1A1L3MBTL1POLBNPSR1KDM4E | |
| SCHEMBL16026595 | 0.80 | MEN1 (0.37) | ALDH1A1KDM4EHRH3MEN1LMNA | |
| SCHEMBL4724913 | 0.77 | PIK3CD (0.47) | ALDH1A1KDM4EHRH3CYP3A4HPGD | |
| SCHEMBL4723629 | 0.77 | PIK3CD (0.47) | ALDH1A1KDM4EHRH3CYP3A4HPGD | |
| SCHEMBL11559490 | 0.76 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1POLBNPSR1KDM4E | |
| SCHEMBL28856427 | 0.76 | — | — | |
| SCHEMBL4038008 | 0.75 | MEN1 (0.33) | HRH3MEN1KMT2A | |
| SCHEMBL23278004 | 0.74 | HRH3 (0.39) | ALDH1A1KDM4EHRH3MEN1KMT2A | |
| SCHEMBL19044559 | 0.72 | KDM4E (0.44) | ALDH1A1KDM4EMEN1KMT2ATDP1 |
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-1917262-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007020194-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-22 | — | — | WO | disclosed |