Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 2/20 | 0.30 |
| ▸ | KDM1A | O60341 | 2/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL20746766 | 0.91 | HDAC3 (0.38) | HDAC3HDAC1HDAC2NCOR2GPR119 | |
| SCHEMBL14838574 | 0.82 | ALDH1A1 (0.40) | HDAC3HDAC1HDAC2NCOR2GPR119 | |
| SCHEMBL14829667 | 0.82 | ALDH1A1 (0.40) | HDAC3HDAC1HDAC2NCOR2GPR119 | |
| SCHEMBL21698542 | 0.80 | GPR119 (0.40) | HDAC3HDAC1HDAC2NCOR2GPR119 | |
| SCHEMBL24038574 | 0.80 | HDAC1 (0.48) | HDAC3HDAC1HDAC2NCOR2GPR119 | |
| SCHEMBL14829732 | 0.79 | HDAC1 (0.38) | HDAC3HDAC1HDAC2NCOR2GPR119 | |
| SCHEMBL15120098 | 0.79 | HDAC1 (0.38) | HDAC3HDAC1HDAC2NCOR2GPR119 | |
| SCHEMBL21300012 | 0.77 | — | — | |
| SCHEMBL21299982 | 0.76 | LOXL2 (0.44) | HDAC3HDAC1HDAC2NCOR2HDAC6 | |
| SCHEMBL15120076 | 0.75 | HDAC3 (0.34) | HDAC3HDAC1HDAC2NCOR2GPR119 |
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-3878851-A1 | PROCESS FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2021-09-15 | — | — | EP | disclosed |
| EP-3608316-A1 | DEUTERATED DERIVATIVES OF AN INHIBITOR OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2020-02-12 | — | — | EP | disclosed |