Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | CTSA | P10619 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16559859 | 0.96 | POLB (0.43) | AKR1C3AKR1C2PTGS2POLBAPEX1 | |
| SCHEMBL16559858 | 0.92 | POLB (0.43) | PTGS2POLBAPEX1HTTTDP1 | |
| SCHEMBL16559855 | 0.92 | POLB (0.40) | AKR1C3AKR1C2PTGS2POLBAPEX1 | |
| SCHEMBL19158398 | 0.90 | RARB (0.40) | AKR1C3AKR1C2PTGS2POLBAPEX1 | |
| SCHEMBL19159169 | 0.90 | POLB (0.38) | AKR1C3AKR1C2PTGS2POLBAPEX1 | |
| SCHEMBL24555444 | 0.90 | POLB (0.44) | POLBAPEX1HTTTDP1RARA | |
| SCHEMBL19824585 | 0.90 | POLB (0.44) | POLBAPEX1HTTTDP1RARA | |
| SCHEMBL26044722 | 0.90 | POLB (0.44) | POLBAPEX1HTTTDP1RARA | |
| SCHEMBL16559843 | 0.88 | POLB (0.40) | AKR1C3AKR1C2PTGS2POLBAPEX1 | |
| SCHEMBL16982149 | 0.87 | POLB (0.48) | POLBAPEX1HTTTDP1RARA |
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-2848676-B1 | Liquid crystal medium | MERCK PATENT GMBH (DE) | 2017-07-26 | — | — | EP | disclosed |