Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28836921 | 0.80 | ALDH1A1 (0.51) | ALDH1A1GAALTA4HDHFRHTT | |
| SCHEMBL27975582 | 0.78 | ALDH1A1 (0.51) | ALDH1A1GAADHFRHSD17B10CYP3A4 | |
| SCHEMBL27741326 | 0.73 | PDE4A (0.48) | ALDH1A1HSD17B10TSHRCYP2C9CYP2C19 | |
| SCHEMBL11107931 | 0.72 | ALDH1A1 (0.67) | ALDH1A1GAALTA4HDHFRHTT | |
| SCHEMBL30541678 | 0.72 | ALDH1A1 (1.00) | ALDH1A1GAADHFRHTTHSD17B10 | |
| SCHEMBL273470 | 0.72 | ALDH1A1 (1.00) | ALDH1A1GAADHFRHTTHSD17B10 | |
| SCHEMBL27293615 | 0.71 | LTA4H (0.59) | GAALTA4HHSD17B10TSHRTDP1 | |
| SCHEMBL2080091 | 0.70 | METAP2 (0.59) | ALDH1A1GAAHSD17B10CA2 | |
| SCHEMBL8184427 | 0.69 | DPP4 (0.47) | GAAHSD17B10 | |
| SCHEMBL11620477 | 0.69 | TRPA1 (0.39) | DHFR |
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-106317056-A | Pyrazolopyridine derivatives, preparation process therefor and therapeutic use thereof | 赛诺菲 | 2017-01-11 | — | — | CN | disclosed |