Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30786120 | 1.00 | KEAP1 (0.47) | KEAP1CES2CES1PARP1DGAT1 | |
| SCHEMBL30786117 | 0.83 | CES2 (0.47) | KEAP1CES2CES1PARP1DGAT1 | |
| SCHEMBL1424485 | 0.81 | KEAP1 (0.59) | KEAP1CES2CES1MEN1KMT2A | |
| SCHEMBL29463969 | 0.80 | CES2 (0.52) | KEAP1CES2CES1PARP1DGAT1 | |
| SCHEMBL3490875 | 0.79 | CES2 (0.47) | KEAP1CES2CES1KMT2AALDH1A1 | |
| SCHEMBL366058 | 0.78 | CES2 (0.68) | KEAP1CES2CES1PARP1DGAT1 | |
| SCHEMBL29537903 | 0.78 | CES2 (0.68) | KEAP1CES2CES1PARP1DGAT1 | |
| SCHEMBL31230207 | 0.77 | KEAP1 (0.70) | KEAP1CES2CES1PARP1DGAT1 | |
| SCHEMBL19346005 | 0.77 | MAPT (0.49) | IKBKBMEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL3916230 | 0.77 | ALDH1A1 (0.50) | KEAP1CES2CES1PARP1MEN1 |
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-3362448-B1 | NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA | INVENTIVA (FR) | 2021-08-04 | — | — | EP | disclosed |