Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.36 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.36 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16455486 | 0.87 | ALDH1A1 (0.39) | NPC1ALDH1A1RAB9ACA1CA2 | |
| SCHEMBL16455490 | 0.85 | NR1H2 (0.40) | NPC1ALDH1A1RAB9ACA1CA2 | |
| SCHEMBL16455480 | 0.83 | NR1H2 (0.42) | NPC1ALDH1A1RAB9ACA1CA2 | |
| SCHEMBL16455481 | 0.81 | HSP90AA1 (0.36) | NPC1ALDH1A1RAB9ACA1CA2 | |
| SCHEMBL16455485 | 0.80 | ALDH1A1 (0.39) | NPC1ALDH1A1RAB9ACA1CA2 | |
| SCHEMBL16455239 | 0.78 | RXRA (0.43) | NPC1ALDH1A1RAB9ACA1CA2 | |
| SCHEMBL16455645 | 0.77 | ALDH1A1 (0.44) | NPC1ALDH1A1RAB9ACA1CA2 | |
| SCHEMBL16455244 | 0.76 | NR1H2 (0.42) | NPC1ALDH1A1RAB9ACA1CA2 | |
| SCHEMBL16455640 | 0.75 | NR1H2 (0.55) | NPC1ALDH1A1RAB9ACA1CA2 | |
| SCHEMBL16455245 | 0.74 | HSP90AA1 (0.36) | NPC1ALDH1A1RAB9ACA1CA2 |
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-3441390-A1 | LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS | Ralexar Therapeutics, Inc. (US) | 2019-02-13 | — | — | EP | disclosed |