Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28615795 | 1.00 | THRB (0.50) | THRBATMAKR1C3AKR1C2MAPK1 | |
| SCHEMBL18322205 | 0.91 | NR1H4 (0.47) | KDM4EHPGDCA2CA9APP | |
| SCHEMBL20241344 | 0.91 | NR1H4 (0.47) | KDM4EHPGDCA2CA9APP | |
| SCHEMBL28619079 | 0.85 | APP (0.45) | KDM4EALDH1A1HPGDCA5ACA9 | |
| SCHEMBL29405817 | 0.85 | APP (0.45) | KDM4EALDH1A1HPGDCA5ACA9 | |
| SCHEMBL18322124 | 0.84 | NPC1 (0.48) | BRD4ALDH1A1HPGDCYP26A1CYP24A1 | |
| SCHEMBL28620218 | 0.78 | CYP26A1 (0.43) | KDM4EBRD4ALDH1A1CYP3A4MAPT | |
| SCHEMBL20241215 | 0.76 | BRD4 (0.43) | BRD4MAOBMEN1MAPTKMT2A | |
| SCHEMBL22516769 | 0.73 | ALDH1A1 (0.47) | THRBATMAKR1C3AKR1C2KDM4E | |
| SCHEMBL30985386 | 0.73 | ESR1 (0.42) | ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3307729-A1 | NRF2 REGULATORS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2018-04-18 | — | — | EP | disclosed |
| WO-2016203401-A1 | NRF2 REGULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-12-22 | — | — | WO | disclosed |