Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 11/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL28939750 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPK1TSHRHPGD | |
| SCHEMBL29616864 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPK1TSHRHPGD | |
| SCHEMBL29616855 | 0.88 | BRD4 (0.51) | ALDH1A1KDM4EMAPK1TSHRHPGD | |
| SCHEMBL28736912 | 0.88 | BRD4 (0.51) | ALDH1A1KDM4EMAPK1TSHRHPGD | |
| SCHEMBL28736909 | 0.88 | BRD4 (0.51) | ALDH1A1KDM4EMAPK1TSHRHPGD | |
| SCHEMBL29616904 | 0.86 | BRD4 (0.41) | ALDH1A1KDM4EMAPK1TSHRHPGD | |
| SCHEMBL28736993 | 0.86 | BRD4 (0.41) | ALDH1A1KDM4EMAPK1TSHRHPGD | |
| SCHEMBL28736897 | 0.86 | BRD4 (0.41) | ALDH1A1KDM4EMAPK1TSHRHPGD | |
| SCHEMBL28736893 | 0.86 | BRD4 (0.41) | ALDH1A1KDM4EMAPK1TSHRHPGD | |
| SCHEMBL28736992 | 0.86 | BRD4 (0.41) | ALDH1A1KDM4EMAPK1TSHRHPGD |
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-114478405-B | Preparation method of chiral nitrogen substituted tetrahydroquinoxaline | 中国科学院成都生物研究所 | 2023-08-15 | — | — | CN | disclosed |
| CN-114478405-A | Preparation method of chiral nitrogen substituted tetrahydroquinoxaline | 中国科学院成都生物研究所 | 2022-05-13 | — | — | CN | disclosed |