Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19824794 | 0.92 | TDP1 (0.43) | TDP1POLBAPEX1HTTKMT2A | |
| SCHEMBL803172 | 0.89 | TDP1 (0.56) | TDP1POLBAPEX1HTTPPARG | |
| SCHEMBL19978522 | 0.87 | POLB (0.59) | TDP1POLBAPEX1HTTPPARG | |
| SCHEMBL18904311 | 0.86 | THRB (0.39) | TDP1HTTPPARGPPARDPPARA | |
| SCHEMBL17070343 | 0.86 | TDP1 (0.53) | TDP1POLBAPEX1HTTPPARG | |
| SCHEMBL12592442 | 0.86 | POLB (0.61) | TDP1POLBAPEX1HTTKMT2A | |
| SCHEMBL31520182 | 0.86 | POLB (0.61) | TDP1POLBAPEX1HTTKMT2A | |
| SCHEMBL19799417 | 0.86 | POLB (0.61) | TDP1POLBAPEX1HTTKMT2A | |
| SCHEMBL20925191 | 0.85 | TDP1 (0.50) | TDP1POLBAPEX1HTTPPARG | |
| SCHEMBL19882268 | 0.85 | TDP1 (0.50) | TDP1POLBAPEX1HTTPPARG |
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-2668174-B1 | LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA | MERCK PATENT GMBH (DE) | 2017-05-31 | — | — | EP | disclosed |