Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11044405 | 1.00 | ALDH1A1 (0.49) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11039794 | 0.99 | TSHR (0.49) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11041826 | 0.95 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11043400 | 0.94 | ALDH1A1 (0.53) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11038831 | 0.90 | ALDH1A1 (0.53) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11037199 | 0.89 | ALDH1A1 (0.53) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL28660828 | 0.76 | ALDH1A1 (0.78) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL10332524 | 0.76 | ALDH1A1 (0.78) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11038272 | 0.76 | SLC6A2 (0.43) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL13402239 | 0.75 | NPC1 (0.54) | ALDH1A1NPC1MAPTTSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0118046-A1 | Liquid crystal compounds, liquid crystal compositions and liquid crystal display devices | HITACHI, LTD. (JP) | 1984-09-12 | — | — | EP | disclosed |