Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 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 | |
|---|---|---|---|---|
| SCHEMBL17694339 | 0.95 | RARB (0.35) | NPC1TP53POLBNFKB1MAPK1 | |
| SCHEMBL18464808 | 0.87 | NPC1 (0.39) | NPC1TP53POLBNFKB1MAPK1 | |
| SCHEMBL20806066 | 0.87 | ESR1 (0.39) | HDAC1ESR1ESR2 | |
| SCHEMBL17694346 | 0.85 | RARB (0.39) | RAB9ARARBESR1ESR2GCGR | |
| SCHEMBL17694315 | 0.84 | RARB (0.40) | RAB9ARARBESR1ESR2GCGR | |
| SCHEMBL17694324 | 0.83 | RARB (0.39) | RAB9ARARBESR1ESR2GCGR | |
| SCHEMBL17694316 | 0.83 | RARB (0.42) | TP53RAB9ARARBESR1ESR2 | |
| SCHEMBL19636905 | 0.82 | ESR1 (0.37) | NPC1TP53POLBNFKB1MAPK1 | |
| SCHEMBL17694321 | 0.82 | RARB (0.39) | RAB9ARARBESR1ESR2GCGR | |
| SCHEMBL16265270 | 0.79 | S1PR1 (0.39) | MAPK1RAB9ASMN1; SMN2RARB |
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-2017198637-A1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-11-23 | — | — | WO | disclosed |