Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HPGD | P15428 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 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 | |
|---|---|---|---|---|
| SCHEMBL30386054 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL15830711 | 0.81 | CHEK1 (0.49) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL15814169 | 0.78 | TDP1 (0.42) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL30261030 | 0.74 | BRD4 (0.45) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL7835424 | 0.74 | BRD4 (0.45) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL1536474 | 0.74 | CYP19A1 (0.44) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL3758540 | 0.73 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL15329220 | 0.71 | PDE3B (0.50) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 | |
| SCHEMBL21593366 | 0.70 | CHEK1 (0.48) | CHEK1JAK2RPS6KA3MELKSTK24 | |
| Formic Acid Methyl Ester SCHEMBL28167552 | 0.70 | ADRA1D (0.40) | ALDH1A1HPGDKDM4EHSD17B10MAPK1 |
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-116262739-A | Nitrogen-containing aryl derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-06-16 | — | — | CN | disclosed |