Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 5/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.34 |
| ▸ | CES1 | P23141 | 4/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16573040 | 0.85 | ALDH1A1 (0.35) | ALDH1A1TSHRCA12CA9 | |
| SCHEMBL11527419 | 0.84 | GPR84 (0.39) | ALDH1A1CES2DNM1FAAHTSHR | |
| SCHEMBL11527831 | 0.84 | GPR84 (0.39) | ALDH1A1CES2DNM1FAAHTSHR | |
| SCHEMBL20556388 | 0.80 | SPHK1 (0.38) | ALDH1A1CES2DNM1CES1FAAH | |
| SCHEMBL15380791 | 0.80 | CA12 (0.39) | ALDH1A1CES2DNM1CES1FAAH | |
| SCHEMBL27871210 | 0.79 | CES2 (0.39) | ALDH1A1CES2DNM1CES1TSHR | |
| SCHEMBL9619111 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CES2DNM1CES1FAAH | |
| SCHEMBL28535905 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CES2DNM1CES1FAAH | |
| SCHEMBL16295067 | 0.78 | NAAA (0.39) | ALDH1A1CES2DNM1CES1CA12 | |
| SCHEMBL2905262 | 0.77 | EPHX1 (0.39) | ALDH1A1CES2DNM1FAAHTSHR |
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-6232492-B1 | REACTING ARYLHYDROXYLAMINE WITH A KETENE | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 2001-05-15 | — | — | US | disclosed |