Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | AVPR1B | P47901 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 4/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.30 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 1/20 | 0.30 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.30 |
| ▸ | CLK2 | P49760 | 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 | |
|---|---|---|---|---|
| SCHEMBL17029005 | 0.94 | NR1I2 (0.42) | NR1I2AVPR1BCNR2PDE4BPDCD1 | |
| SCHEMBL17029006 | 0.92 | NR1I2 (0.41) | NR1I2AVPR1BCNR2PDE4BPDCD1 | |
| SCHEMBL20033899 | 0.90 | NR1I2 (0.40) | NR1I2PDE4BPDE4APDE4CKMT2A | |
| SCHEMBL17029033 | 0.89 | NR1I2 (0.39) | NR1I2AVPR1BPDCD1CD274KMT2A | |
| SCHEMBL17029021 | 0.86 | NR1I2 (0.45) | NR1I2AVPR1BPDCD1CD274 | |
| SCHEMBL20344789 | 0.86 | NR1I2 (0.37) | NR1I2AVPR1BPDCD1CD274NPSR1 | |
| SCHEMBL17039259 | 0.85 | NR1I2 (0.39) | NR1I2AVPR1BPDE4BPDCD1CD274 | |
| SCHEMBL20344788 | 0.84 | NR1I2 (0.42) | NR1I2AVPR1BPDCD1CD274 | |
| SCHEMBL17039244 | 0.84 | NR1I2 (0.42) | NR1I2AVPR1BPDCD1CD274 | |
| SCHEMBL17029032 | 0.83 | NR1I2 (0.57) | NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3107913-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2018-07-04 | — | — | EP | disclosed |