Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PPIA | P62937 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8693785 | 0.86 | ADORA3 (0.53) | ADORA3ADORA2BADORA1ALDH1A1ADORA2A | |
| SCHEMBL8698039 | 0.85 | ADORA3 (0.52) | ADORA3ADORA2BADORA1ALDH1A1L3MBTL1 | |
| SCHEMBL6312199 | 0.84 | ALDH1A1 (0.50) | ADORA3ADORA2BADORA1ALDH1A1L3MBTL1 | |
| SCHEMBL8695495 | 0.83 | L3MBTL1 (0.45) | ADORA3ADORA2BADORA1ALDH1A1L3MBTL1 | |
| SCHEMBL8696177 | 0.81 | ALDH1A1 (0.46) | ADORA3ADORA2BADORA1ALDH1A1L3MBTL1 | |
| SCHEMBL8693738 | 0.80 | HPGD (0.52) | ALDH1A1TP53EPHX1TSHREPHX2 | |
| SCHEMBL8696100 | 0.79 | EPHX1 (0.52) | ALDH1A1L3MBTL1EPHX1EPHX2SMN1; SMN2 | |
| SCHEMBL28764370 | 0.77 | ALDH1A1 (0.49) | ADORA3ADORA2BADORA1ALDH1A1L3MBTL1 | |
| SCHEMBL8696733 | 0.76 | KMT2A (0.46) | ADORA3ALDH1A1L3MBTL1SMN1; SMN2KMT2A | |
| SCHEMBL8692678 | 0.74 | HTT (0.46) | ALDH1A1L3MBTL1TSHRSMN1; SMN2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5849779-A | Pyrazole derivatives and their pharmaceutical use | JAPAN ENERGY CORPORATION (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0810217-A1 | Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors | JAPAN ENERGY CORPORATION (JP) | 1997-12-03 | — | — | EP | disclosed |