Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL5515728 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPTMEN1THRB | |
| SCHEMBL3251926 | 0.77 | IDO1 (0.57) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL2096172 | 0.72 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPTMAPK1CYP1A2 | |
| SCHEMBL29811646 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CYP3A4KDM4ETSHRGAA | |
| SCHEMBL171279 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CYP3A4KDM4ETSHRGAA | |
| SCHEMBL3256474 | 0.70 | CYP3A4 (0.47) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL8504982 | 0.70 | ALDH1A1 (0.45) | ALDH1A1CYP3A4MAPTMEN1THRB | |
| SCHEMBL3220995 | 0.70 | HTR2A (0.44) | ALDH1A1CYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL11742446 | 0.70 | CYP3A4 (0.46) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL12370675 | 0.69 | IDO1 (0.50) | ALDH1A1CYP3A4MAPTMEN1KMT2A |
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-5885979-A | SQUALENE SYNTHETASE INHIBITOR TREATING OR PREVENTING HYPERLIPIDEMIA | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-03-23 | — | — | US | disclosed |