Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21819787 | 1.00 | ABCG2 (0.44) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL31123338 | 0.92 | HPGD (0.47) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL17382505 | 0.92 | HPGD (0.47) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL23423974 | 0.88 | EPHX2 (0.43) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL23423637 | 0.88 | EPHX2 (0.43) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL23423987 | 0.83 | ALDH1A1 (0.47) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL18471172 | 0.83 | ALDH1A1 (0.47) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL21819786 | 0.83 | ABCG2 (0.45) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL31123336 | 0.83 | ABCG2 (0.45) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL17382501 | 0.83 | MAPT (0.41) | ABCG2CYP1A1CYP1A2PAX8FYN |
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-110957429-B | Amine-based compound and organic light emitting device including the same | 三星显示有限公司 | 2024-08-20 | — | — | CN | disclosed |