Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 3/20 | 0.37 |
| ▸ | CCND1 | P24385 | 3/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29915594 | 1.00 | GBA1 (0.39) | GBA1MAPTTHRBCDK4CCND1 | |
| SCHEMBL23991974 | 0.92 | GBA1 (0.40) | GBA1MAPTTHRBCDK4CCND1 | |
| SCHEMBL21758751 | 0.91 | GBA1 (0.42) | GBA1MAPTTHRBCDK4CCND1 | |
| SCHEMBL30170882 | 0.91 | GBA1 (0.42) | GBA1MAPTTHRBCDK4CCND1 | |
| SCHEMBL21753189 | 0.90 | GBA1 (0.44) | GBA1CDK4CCND1NAMPTSIRT1 | |
| SCHEMBL21753305 | 0.87 | GBA1 (0.44) | GBA1CDK4CCND1NAMPTACHE | |
| SCHEMBL31297725 | 0.87 | GBA1 (0.44) | GBA1CDK4CCND1NAMPTACHE | |
| SCHEMBL31297719 | 0.87 | GBA1 (0.45) | GBA1MAPTCDK4CCND1NAMPT | |
| SCHEMBL21758434 | 0.87 | GBA1 (0.45) | GBA1MAPTCDK4CCND1NAMPT | |
| SCHEMBL21758331 | 0.86 | GBA1 (0.43) | GBA1MAPTTHRBCDK4CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020039093-A1 | TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS | JAGUAHR THERAPEUTICS PTE LTD (SG) | 2020-02-27 | — | — | WO | disclosed |