Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | PARP14 | Q460N5 | 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 | |
|---|---|---|---|---|
| SCHEMBL20196932 | 0.81 | KMT2A (0.41) | CA2IRAK4ALDH1A1KMT2A | |
| SCHEMBL9710337 | 0.80 | KEAP1 (0.46) | KEAP1CES2CES1PARP1JAK2 | |
| SCHEMBL6781811 | 0.75 | SIRT1 (0.55) | CA2KEAP1IRAK4NPC1RAB9A | |
| SCHEMBL15082650 | 0.74 | RECQL (0.44) | KEAP1CES2CES1PARP1IRAK4 | |
| SCHEMBL29463969 | 0.72 | CES2 (0.52) | KEAP1CES2CES1PARP1JAK2 | |
| SCHEMBL10160070 | 0.71 | POLB (0.45) | KEAP1CES2CES1PARP1IRAK4 | |
| SCHEMBL2852106 | 0.71 | KEAP1 (0.47) | KEAP1CES2CES1PARP1NPC1 | |
| SCHEMBL4068010 | 0.70 | CES2 (0.42) | KEAP1CES2CES1PARP1RAB9A | |
| SCHEMBL29537903 | 0.70 | CES2 (0.68) | KEAP1CES2CES1PARP1JAK2 | |
| SCHEMBL366058 | 0.70 | CES2 (0.68) | KEAP1CES2CES1PARP1JAK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3607950-A2 | HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS | Indiana University Research & Technology Corporation (US) | 2020-02-12 | — | — | EP | disclosed |
| EP-3116316-B1 | HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS | UNIV INDIANA RES & TECH CORP (US) | 2019-07-10 | — | — | EP | disclosed |