Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | STS | P08842 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL11043400 | 0.99 | ALDH1A1 (0.53) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL11039459 | 0.95 | ALDH1A1 (0.49) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL11044405 | 0.95 | ALDH1A1 (0.49) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL11037199 | 0.94 | ALDH1A1 (0.53) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL11039794 | 0.94 | TSHR (0.49) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL11038831 | 0.84 | ALDH1A1 (0.53) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL10950481 | 0.81 | RARB (0.44) | ALDH1A1MAPTTSHR | |
| SCHEMBL108412 | 0.79 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL10591672 | 0.79 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL197446 | 0.79 | ALDH1A1 (0.83) | ALDH1A1NPC1MAPTRAB9ASTS |
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 |