Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9125115 | 1.00 | ALDH1A1 (0.40) | ALDH1A1HTTCA12CA1CA2 | |
| SCHEMBL8081657 | 0.89 | CA12 (0.35) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL6933707 | 0.89 | CA12 (0.35) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8821926 | 0.88 | CA12 (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL25953907 | 0.88 | RARB (0.51) | ALDH1A1RARBRARARARGPRSS1 | |
| SCHEMBL25339769 | 0.87 | DGAT1 (0.40) | ALDH1A1HTTRARBRARARARG | |
| SCHEMBL25339765 | 0.87 | DGAT1 (0.40) | ALDH1A1HTTRARBRARARARG | |
| SCHEMBL25953908 | 0.87 | RARB (0.49) | ALDH1A1RARBRARARARGPRSS1 | |
| SCHEMBL8107463 | 0.86 | CA12 (0.36) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8107467 | 0.86 | CA12 (0.36) | ALDH1A1CA12CA1CA2CA7 |
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 |