Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 4/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20469222 | 0.91 | MAP3K12 (0.41) | MAP3K12EIF2AK4 | |
| SCHEMBL24018500 | 0.83 | MAP3K12 (0.43) | MAP3K12DRD4HTR1AHTR2ASLC6A4 | |
| SCHEMBL20456800 | 0.83 | MAP3K12 (0.43) | MAP3K12DRD4HTR1AHTR2ASLC6A4 | |
| SCHEMBL24018502 | 0.83 | MAP3K12 (0.43) | MAP3K12DRD4HTR1AHTR2ASLC6A4 | |
| SCHEMBL20456699 | 0.80 | MAP3K12 (0.41) | MAP3K12DRD4HTR1AHTR2ASLC6A4 | |
| SCHEMBL38654233 | 0.80 | MAP3K12 (0.41) | MAP3K12DRD4HTR1AHTR2ASLC6A4 | |
| SCHEMBL20456720 | 0.80 | MAP3K12 (0.41) | MAP3K12DRD4HTR1AHTR2ASLC6A4 | |
| SCHEMBL24018501 | 0.80 | MAP3K12 (0.41) | MAP3K12DRD4HTR1AHTR2ASLC6A4 | |
| SCHEMBL20491963 | 0.77 | MAP3K12 (0.38) | MAP3K12DRD4HTR1AHTR2ASLC6A4 | |
| SCHEMBL20468981 | 0.76 | GRM5 (0.39) | MAP3K12 |
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-3577110-B1 | 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS | GILEAD SCIENCES INC (US) | 2021-04-21 | — | — | EP | disclosed |
| WO-2018145021-A1 | ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS | GILEAD SCIENCES, INC. (US) | 2018-08-09 | — | — | WO | disclosed |