Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.44 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.37 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL27408304 | 0.83 | TP53 (0.42) | LTA4HCYP1A2CYP2A6PDK2SLC6A4 | |
| SCHEMBL2973658 | 0.82 | HSPA5 (0.56) | HSPA5CYP1A2CYP2A6SLC6A2SLC6A4 | |
| SCHEMBL12834802 | 0.78 | FFAR4 (0.40) | HSPA5TAOK1TAOK3CYP1A2CYP2A6 | |
| SCHEMBL13863236 | 0.77 | HSPA5 (0.42) | HSPA5CYP1A2CYP2A6IDO1PDK2 | |
| SCHEMBL5435016 | 0.76 | ALDH1A1 (0.48) | HSPA5CYP1A2IDO1KDM4EALDH1A1 | |
| SCHEMBL12114208 | 0.74 | S1PR1 (0.37) | CYP1A2CYP2A6IDO1PDK2SLC6A2 | |
| SCHEMBL19789643 | 0.73 | PDE3B (0.47) | HSPA5CYP1A2CYP2A6IDO1PDK2 | |
| SCHEMBL23865007 | 0.73 | ESRRG (0.41) | HSPA5CYP1A2SIGMAR1 | |
| SCHEMBL20882009 | 0.72 | IDO1 (0.44) | LTA4HCYP1A2IDO1SLC6A2SLC6A4 | |
| SCHEMBL26011551 | 0.71 | POLQ (0.34) | — |
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-2021105857-A1 | 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2021-06-03 | — | — | WO | disclosed |