Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CDC42 | P60953 | 1/20 | 0.32 |
| ▸ | RAC1 | P63000 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL18806041 | 0.88 | ELANE (0.36) | AKR1C3AKR1C2TDP1L3MBTL1PTGS2 | |
| SCHEMBL20172060 | 0.88 | TDP1 (0.44) | AKR1C3AKR1C2TDP1L3MBTL1PTGS2 | |
| SCHEMBL18806029 | 0.83 | ELANE (0.39) | AKR1C3AKR1C2TDP1L3MBTL1PTGS2 | |
| SCHEMBL25570181 | 0.79 | APP (0.40) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL19491837 | 0.79 | ELANE (0.41) | TDP1L3MBTL1LMNAMAPT | |
| SCHEMBL20172068 | 0.76 | AKR1C3 (0.39) | AKR1C3AKR1C2TDP1L3MBTL1PTGS2 | |
| SCHEMBL18436310 | 0.73 | ELANE (0.45) | AKR1C3AKR1C2TDP1L3MBTL1PTGS2 | |
| SCHEMBL21231953 | 0.70 | MAPT (0.42) | TDP1L3MBTL1TSHRMAPT | |
| SCHEMBL18806020 | 0.70 | ELANE (0.43) | L3MBTL1PTGS2LMNA | |
| SCHEMBL19160186 | 0.70 | POLB (0.40) | AKR1C3AKR1C2TDP1PTGS2PTGS1 |
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-3162875-B1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2018-05-23 | — | — | EP | disclosed |