Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MC5R | P33032 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL2785643 | 0.83 | CYP2A6 (0.42) | ALDH1A1CYP2A6HSD17B10TDP1HIF1A | |
| SCHEMBL2163499 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL3687125 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP2A6HSD17B10TDP1HIF1A | |
| SCHEMBL11933627 | 0.77 | ALDH1A1 (0.38) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL3678185 | 0.76 | HPRT1 (0.58) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL8990624 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL13249031 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL12283589 | 0.74 | CYP2A6 (0.41) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL13249050 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL7482268 | 0.71 | CA1 (0.34) | ALDH1A1CYP2A6HSD17B10TDP1CYP1A2 |
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-110678458-A | Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders | 武田药品工业株式会社 | 2020-01-10 | — | — | CN | disclosed |