Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.40 |
| ▸ | TYMP | P19971 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21392993 | 0.90 | ADORA3 (0.42) | ADORA3ALDH1A1LMNAALBMAPK1 | |
| SCHEMBL18537401 | 0.84 | ADORA3 (0.47) | ADORA3ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL14620703 | 0.84 | ADORA3 (0.47) | ADORA3ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL116166 | 0.84 | ADORA3 (0.47) | ADORA3ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL13626438 | 0.84 | ADORA3 (0.47) | ADORA3ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL16258667 | 0.84 | ADORA3 (0.47) | ADORA3ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL18537395 | 0.84 | ADORA3 (0.47) | ADORA3ALDH1A1LMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5972616 | 0.83 | ADORA3 (0.46) | ADORA3ALDH1A1LMNAMEN1KMT2A | |
| Water SCHEMBL28222138 | 0.83 | ADORA3 (0.46) | ADORA3ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL14583682 | 0.82 | HPGD (0.43) | ADORA3PAX8HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-117751101-A | Choline salt of 2- (1-cyclobutyl-1H-pyrazol-4-yl) -5- [ ({ 1- [ 2-fluoro-4- (trifluoromethyl) phenyl ] cyclopropyl } carbonyl) amino ] benzoic acid | 拜耳公司 | 2024-03-22 | — | — | CN | disclosed |