Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.47 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.47 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9339334 | 0.96 | GPR84 (0.53) | GPR84FFAR1PTPN1MAPTLCK | |
| SCHEMBL8362469 | 0.96 | GPR84 (0.53) | GPR84FFAR1PTPN1MAPTLCK | |
| SCHEMBL8362596 | 0.93 | GPR84 (0.48) | GPR84FFAR1PTPN1MAPTLCK | |
| SCHEMBL159858 | 0.93 | GPR84 (0.61) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL21679674 | 0.93 | GPR84 (0.61) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL5054302 | 0.93 | GPR84 (0.61) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL11806278 | 0.93 | GPR84 (0.61) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL21679654 | 0.93 | GPR84 (0.61) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL8917383 | 0.93 | GPR84 (0.61) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL161181 | 0.93 | GPR84 (0.61) | GPR84FFAR1MAPTLCKPPARD |
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-106831412-A | Preparation method of butanediol fatty acid ester and application of butanediol fatty acid ester as gel factor | 南京工业大学 | 2017-06-13 | — | — | CN | disclosed |