Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | HAO2 | Q9NYQ3 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL17039277 | 0.91 | NR1I2 (0.42) | NR1I2GRM5KDM4ENPC1RAB9A | |
| SCHEMBL20344842 | 0.85 | NR1I2 (0.36) | NR1I2HAO2ALDH1A3 | |
| SCHEMBL17029052 | 0.83 | NR1I2 (0.57) | NR1I2 | |
| SCHEMBL20344784 | 0.83 | NR1I2 (0.57) | NR1I2 | |
| SCHEMBL17039259 | 0.82 | NR1I2 (0.39) | NR1I2TP53KDM4EALDH1A1HSD17B10 | |
| SCHEMBL17029012 | 0.81 | NR1I2 (0.49) | NR1I2HAO2 | |
| SCHEMBL20344789 | 0.80 | NR1I2 (0.37) | NR1I2KDM4EALDH1A1NPSR1HSD17B10 | |
| SCHEMBL17029005 | 0.79 | NR1I2 (0.42) | NR1I2KDM4ENPC1ALDH1A1NFKB1 | |
| SCHEMBL20344833 | 0.77 | NR1I2 (0.41) | NR1I2ALDH1A3NPSR1PDCD1CD274 | |
| SCHEMBL18560613 | 0.77 | NR1I2 (0.44) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2015126765-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |