Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CDC42 | P60953 | 1/20 | 0.39 |
| ▸ | RAC1 | P63000 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL18806029 | 0.90 | ELANE (0.39) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL18806041 | 0.88 | ELANE (0.36) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL20172055 | 0.84 | ELANE (0.43) | ELANELMNAMAPTKMT2AATM | |
| SCHEMBL20172060 | 0.81 | TDP1 (0.44) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL29405364 | 0.80 | ELANE (0.41) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL803231 | 0.78 | ELANE (0.56) | CYP1A2ELANELMNAMAPTKMT2A | |
| SCHEMBL802823 | 0.76 | ELANE (0.50) | ELANELMNAMAPTKMT2AATM | |
| SCHEMBL18432905 | 0.76 | KDM4E (0.51) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL20172059 | 0.76 | AKR1C3 (0.32) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL3566985 | 0.75 | ELANE (0.53) | TSHRELANELMNAMAPTKMT2A |
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 |