Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1090604 | 0.84 | TKT (0.36) | P2RX3P2RX2HRH3TAAR1TKT | |
| SCHEMBL1090705 | 0.81 | HDAC1 (0.39) | HRH3 | |
| SCHEMBL1091872 | 0.80 | APP (0.50) | SLC6A2HRH3KMT2ATAAR1 | |
| SCHEMBL1090916 | 0.78 | CHRNA7 (0.52) | CYP1A2ALDH1A1HSD17B10MEN1CYP2D6 | |
| SCHEMBL1090837 | 0.77 | DHFR (0.44) | — | |
| SCHEMBL2114974 | 0.76 | RAB9A (0.47) | — | |
| SCHEMBL2113390 | 0.75 | NPC1 (0.52) | GAAMEN1MAPK1KMT2ACDK4 | |
| SCHEMBL2115272 | 0.75 | TNK2 (0.42) | KMT2ATAAR1 | |
| SCHEMBL2114996 | 0.74 | HTT (0.49) | ALDH1A1MAPK1CCND3 | |
| SCHEMBL1090496 | 0.74 | GRM5 (0.43) | P2RX3P2RX2ALDH1A1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153625-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |