Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | FABP7 | O15540 | 1/20 | 0.33 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5029772 | 0.89 | SLC1A3 (0.37) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| Hydrochloric Acid SCHEMBL9745618 | 0.88 | SLC1A3 (0.36) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL2331142 | 0.81 | ALDH1A1 (0.41) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL5284629 | 0.72 | ALDH1A1 (0.39) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL7765472 | 0.71 | KMT2A (0.36) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL23536852 | 0.70 | ALDH1A1 (0.37) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL5150393 | 0.70 | KMT2A (0.40) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL19285698 | 0.68 | KMT2A (0.37) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL4216034 | 0.68 | HSD11B1 (0.38) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL7132195 | 0.68 | ALDH1A1 (0.38) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5110496-A | LIQUID CRYSTAL COMPOUND | SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) | 1992-05-05 | — | — | US | disclosed |
| EP-0445037-A2 | Liquid crystal compound | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1991-09-04 | — | — | EP | disclosed |