Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | AVPR1B | P47901 | 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 | |
|---|---|---|---|---|
| SCHEMBL17039259 | 0.89 | NR1I2 (0.39) | NR1I2PDCD1CD274KDM4EALDH1A1 | |
| SCHEMBL20344833 | 0.86 | NR1I2 (0.41) | NR1I2PDCD1CD274NPSR1AVPR1B | |
| SCHEMBL17029005 | 0.86 | NR1I2 (0.42) | NR1I2PDCD1CD274KDM4EALDH1A1 | |
| SCHEMBL20033899 | 0.86 | NR1I2 (0.40) | NR1I2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL17029033 | 0.84 | NR1I2 (0.39) | NR1I2PDCD1CD274KDM4EALDH1A1 | |
| SCHEMBL17039244 | 0.84 | NR1I2 (0.42) | NR1I2PDCD1CD274KDM4EALDH1A1 | |
| SCHEMBL20344788 | 0.84 | NR1I2 (0.42) | NR1I2PDCD1CD274KDM4EALDH1A1 | |
| SCHEMBL17029006 | 0.84 | NR1I2 (0.41) | NR1I2PDCD1CD274KDM4EALDH1A1 | |
| SCHEMBL17029021 | 0.83 | NR1I2 (0.45) | NR1I2PDCD1CD274AVPR1B | |
| SCHEMBL17039260 | 0.81 | NR1I2 (0.50) | NR1I2AVPR1B |
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 |