Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL16130615 | 0.89 | L3MBTL1 (0.31) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10021049 | 0.86 | L3MBTL1 (0.31) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL16130608 | 0.85 | — | — | |
| SCHEMBL14961053 | 0.83 | PPARG (0.33) | L3MBTL1 | |
| SCHEMBL10021194 | 0.82 | ESR1 (0.30) | ACACB | |
| SCHEMBL10021415 | 0.82 | L3MBTL1 (0.33) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10021323 | 0.80 | KCNQ3 (0.38) | KDM1AACACBGAA | |
| SCHEMBL16130714 | 0.80 | ALDH1A1 (0.34) | ALDH1A1KDM1AGAAPKM | |
| SCHEMBL16130618 | 0.78 | L3MBTL1 (0.31) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10021480 | 0.76 | FFAR4 (0.33) | ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-8846164-B2 | Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof | JNC CORPORATION (JP) | 2014-09-30 | — | — | US | disclosed |