Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.32 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Methyl Isobutyl Ketone SCHEMBL9817215 | 0.93 | ALDH1A1 (0.70) | ALDH1A1TDP1CES2CES1CA2 | |
| Methyl Isobutyl Ketone SCHEMBL2240499 | 0.89 | ALDH1A1 (0.78) | ALDH1A1TDP1CA2FFAR3LMNA | |
| Methyl Isobutyl Ketone SCHEMBL306141 | 0.86 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2FFAR3 | |
| Methyl Isobutyl Ketone SCHEMBL28071916 | 0.86 | ALDH1A1 (0.54) | ALDH1A1TDP1CES2CES1TSHR | |
| Methyl Isobutyl Ketone SCHEMBL7057338 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TDP1CES2CES1CA2 | |
| SCHEMBL28649278 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TDP1CES2CES1CA2 | |
| Methyl Isobutyl Ketone SCHEMBL22321104 | 0.82 | ALDH1A1 (0.67) | ALDH1A1TDP1CES2CES1CA2 | |
| Methyl Isobutyl Ketone SCHEMBL28106970 | 0.81 | ALDH1A1 (0.74) | ALDH1A1TDP1CA2FFAR3 | |
| Methyl Isobutyl Ketone SCHEMBL9056069 | 0.81 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2FFAR1 | |
| Butanone SCHEMBL3197137 | 0.81 | ALDH1A1 (0.67) | ALDH1A1TDP1CES2CES1HDAC3 |
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-106029836-A | Liquid crystal alignment composition, liquid crystal alignment film and liquid crystal display element | 罗利克有限公司 | 2016-10-12 | — | — | CN | disclosed |