Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | FABP6 | P51161 | 1/20 | 0.60 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.46 |
| ▸ | PRKCI | P41743 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2599652 | 1.00 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTHSD17B10FABP6 | |
| Hydrochloric Acid SCHEMBL2360497 | 0.98 | ALDH1A1 (0.61) | ALDH1A1GAAMAPTHSD17B10FABP6 | |
| SCHEMBL19744586 | 0.89 | MAPT (0.50) | ALDH1A1GAAMAPTHSD17B10FABP6 | |
| SCHEMBL30054665 | 0.85 | FABP6 (0.56) | ALDH1A1GAAMAPTHSD17B10FABP6 | |
| SCHEMBL1859632 | 0.85 | FABP6 (0.56) | ALDH1A1GAAMAPTHSD17B10FABP6 | |
| SCHEMBL8471521 | 0.80 | FABP6 (0.42) | ALDH1A1GAAMAPTHSD17B10FABP6 | |
| SCHEMBL18708235 | 0.77 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTHSD17B10FABP6 | |
| SCHEMBL2933658 | 0.77 | ALDH1A1 (1.00) | ALDH1A1GAAMAPTHSD17B10FABP6 | |
| SCHEMBL33867 | 0.77 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTHSD17B10FABP6 | |
| SCHEMBL30895878 | 0.77 | MAPT (0.62) | ALDH1A1GAAMAPTHSD17B10FABP6 |
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-114206443-B | Aromatic or heteroaromatic ring derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-02-09 | — | — | CN | disclosed |
| CN-114206443-A | Aromatic ring or heteroaromatic ring derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-03-18 | — | — | CN | disclosed |