Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28315889 | 0.84 | GPR84 (0.43) | GPR84FFAR1HSPD1BLMHSPE1 | |
| SCHEMBL453703 | 0.82 | CA2 (0.48) | CA2MAPK1ALDH1A1TSHRTDP1 | |
| SCHEMBL6158271 | 0.80 | AKR1B1 (0.33) | CA2MAPK1ALDH1A1TSHRGPR84 | |
| SCHEMBL476932 | 0.79 | AKR1B1 (0.42) | ALDH1A1TSHRTDP1GPR84FFAR1 | |
| SCHEMBL17106101 | 0.78 | CA2 (0.50) | CA2MAPK1TDP1GPR84CA1 | |
| SCHEMBL11587612 | 0.78 | CA2 (0.44) | CA2MAPK1ALDH1A1TSHRTDP1 | |
| SCHEMBL21269781 | 0.77 | AKR1B1 (0.40) | ALDH1A1TSHRTDP1GPR84FFAR1 | |
| Lithium SCHEMBL29455930 | 0.77 | AKR1B1 (0.40) | ALDH1A1TSHRTDP1GPR84FFAR1 | |
| SCHEMBL21270014 | 0.77 | AKR1B1 (0.40) | ALDH1A1TSHRTDP1GPR84FFAR1 | |
| SCHEMBL21270036 | 0.77 | AKR1B1 (0.40) | ALDH1A1TSHRTDP1GPR84FFAR1 |
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-106748724-A | A kind of method for preparing Guerbet acid as raw material with malonate | 中国科学院上海高等研究院 | 2017-05-31 | — | — | CN | disclosed |