Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17029017 | 0.87 | NR1I2 (0.39) | SCN9A | |
| SCHEMBL17029051 | 0.87 | NR1I2 (0.39) | SCN9A | |
| SCHEMBL17029023 | 0.75 | NR1I2 (0.58) | — | |
| SCHEMBL17039243 | 0.73 | NR1I2 (0.44) | — | |
| SCHEMBL17029048 | 0.73 | NR1I2 (0.44) | — | |
| SCHEMBL17039280 | 0.73 | SMN1; SMN2 (0.44) | PDCD1CD274NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17029035 | 0.73 | NR1I2 (0.51) | — | |
| SCHEMBL17039253 | 0.72 | NR1I2 (0.39) | — | |
| SCHEMBL18364984 | 0.72 | NR1I2 (0.39) | — | |
| SCHEMBL17039307 | 0.70 | NR1I2 (0.58) | — |
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 |