Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30395999 | 0.93 | MMP8 (0.33) | ALDH1A1HPGDCA1CA2NAAA | |
| SCHEMBL30396753 | 0.90 | MMP8 (0.34) | HPGDTDP1HTT | |
| SCHEMBL17617112 | 0.84 | ALDH1A1 (0.47) | ALDH1A1ATMHPGDTSHRESR1 | |
| SCHEMBL15295457 | 0.84 | ALDH1A1 (0.47) | ALDH1A1ATMHPGDTSHRESR1 | |
| SCHEMBL23907058 | 0.83 | MMP8 (0.45) | ALDH1A1ATMHPGDTSHRSMN1; SMN2 | |
| SCHEMBL234624 | 0.81 | ALDH1A1 (0.44) | ALDH1A1ATMHPGDTSHRCA1 | |
| SCHEMBL17485898 | 0.80 | CYP4F2 (0.37) | ALDH1A1ATMHPGDTSHRESR1 | |
| SCHEMBL20853869 | 0.80 | NAAA (0.46) | ALDH1A1ATMTSHRCA1CA2 | |
| SCHEMBL234622 | 0.79 | ALDH1A1 (0.41) | ALDH1A1ATMHPGDTSHRCA1 | |
| SCHEMBL20853967 | 0.78 | NAAA (0.48) | ALDH1A1TSHRESR1HCAR2LMNA |
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-115717059-A | Ester composition for liquid-cooled cooling liquid, liquid-cooled cooling liquid and preparation method of liquid-cooled cooling liquid | 纯钧新材料(深圳)有限公司 | 2023-02-28 | — | — | CN | disclosed |