Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4405371 | 0.89 | ALDH1A1 (0.35) | ALDH1A1TSHRCES2TDP1NAMPT | |
| SCHEMBL8390474 | 0.86 | CA2 (0.35) | ALDH1A1TSHRCES2TDP1NAMPT | |
| SCHEMBL15679520 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRCES2TDP1HSD17B10 | |
| SCHEMBL29196196 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TSHRCES2MGAMGAA | |
| SCHEMBL23361826 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1HSD17B10MGAM | |
| SCHEMBL28647891 | 0.80 | CES2 (0.42) | ALDH1A1TSHRCES2TDP1HSD17B10 | |
| SCHEMBL5691833 | 0.80 | TSHR (0.39) | ALDH1A1TSHRCES2TDP1HSD17B10 | |
| SCHEMBL518145 | 0.79 | TSHR (0.43) | ALDH1A1TSHRTDP1HSD17B10MGAM | |
| SCHEMBL2127154 | 0.79 | — | — | |
| SCHEMBL585469 | 0.79 | — | — |
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-109311864-A | Heteroaryl substituted pyridines and methods of use | 艾伯维公司 | 2019-02-05 | — | — | CN | disclosed |