Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18077295 | 0.77 | ALDH1A1 (0.50) | ADORA3ALDH1A1ADORA2AADORA1KDM4E | |
| SCHEMBL2078237 | 0.77 | BTK (0.33) | ALDH1A1TSHRTGFBR1KDM4EMEN1 | |
| SCHEMBL21070396 | 0.76 | IRAK4 (0.40) | ADORA3ALDH1A1ADORA2AADORA1KDM4E | |
| SCHEMBL21071386 | 0.76 | HTT (0.42) | ADORA3ALDH1A1ADORA2AADORA1KDM4E | |
| SCHEMBL19885991 | 0.75 | ADORA3 (0.38) | ADORA3ALDH1A1ADORA2AADORA1KDM4E | |
| SCHEMBL18359306 | 0.75 | IKBKB (0.40) | ADORA3ALDH1A1ADORA2AADORA1KDM4E | |
| SCHEMBL12427514 | 0.74 | ALDH1A1 (0.34) | ADORA3ALDH1A1ADORA2AADORA1 | |
| SCHEMBL21069543 | 0.73 | ADORA3 (0.34) | ADORA3ALDH1A1ADORA2AADORA1TGFBR1 | |
| SCHEMBL12800478 | 0.73 | ACHE (0.41) | ADORA3ALDH1A1ADORA2AADORA1KDM4E | |
| Ammonia Solution, Strong SCHEMBL21071683 | 0.72 | ADORA3 (0.33) | ADORA3ALDH1A1ADORA2AADORA1TGFBR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009078432-A1 | 1-ALKYL-4-AMINO-1H-PYRAZOLE-3-CARBOXAMIDE COMPOUND | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2009-06-25 | — | — | WO | disclosed |