Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7542860 | 0.94 | NAAA (0.50) | NAAAALDH1A1SLC5A1TSHR | |
| SCHEMBL7542550 | 0.94 | NAAA (0.50) | NAAAALDH1A1SLC5A1TSHR | |
| SCHEMBL1874367 | 0.78 | ALDH1A1 (0.45) | NAAAPDE4DALDH1A1ATMTSHR | |
| Dodecanol SCHEMBL28693387 | 0.77 | SLC5A1 (0.41) | NAAAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25299469 | 0.76 | ALDH1A1 (0.47) | NAAAALDH1A1ATMTSHRTDP1 | |
| Decane SCHEMBL8084226 | 0.76 | SLC5A1 (0.46) | NAAAALDH1A1SLC5A1L3MBTL1 | |
| Hexadecane SCHEMBL8144910 | 0.76 | SLC5A1 (0.46) | NAAAALDH1A1SLC5A1L3MBTL1 | |
| SCHEMBL11037027 | 0.76 | ALDH1A1 (0.42) | NAAAALDH1A1ATMTSHRTDP1 | |
| Hydrochloric Acid SCHEMBL17459536 | 0.75 | ALDH1A1 (0.45) | NAAAALDH1A1ATMTSHR | |
| SCHEMBL22279768 | 0.74 | BRD4 (0.46) | PDE4APDE4BPDE4CPDE4DACACB |
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-4251623-A1 | ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-10-04 | — | — | EP | disclosed |
| WO-2022112140-A1 | ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2022-06-02 | — | — | WO | disclosed |