Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL21624101 | 1.00 | ALDH1A1 (0.31) | ALDH1A1HPGDCREBBPMAPTMC4R | |
| SCHEMBL21624102 | 1.00 | ALDH1A1 (0.31) | ALDH1A1HPGDCREBBPMAPTMC4R | |
| SCHEMBL30005856 | 0.82 | ALOX5 (0.44) | ALDH1A1MAPTKDM4EHSD17B10 | |
| SCHEMBL21636304 | 0.82 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL21624126 | 0.82 | ALOX5 (0.44) | ALDH1A1MAPTKDM4EHSD17B10 | |
| SCHEMBL29821340 | 0.82 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL21624125 | 0.82 | ALOX5 (0.44) | ALDH1A1MAPTKDM4EHSD17B10 | |
| SCHEMBL21624192 | 0.79 | — | — | |
| SCHEMBL21624190 | 0.79 | — | — | |
| SCHEMBL21636837 | 0.77 | CES1 (0.33) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112673009-B | Substituted triazoloquinoxaline derivatives | 格吕伦塔尔有限公司 | 2023-09-19 | — | — | CN | disclosed |
| EP-4090660-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |