Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL16765695 | 0.99 | SIRT2 (0.45) | SIRT2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5332210 | 0.95 | SIRT2 (0.44) | SIRT2HDAC3HDAC4HDAC1HDAC7 | |
| Fluoride Ion SCHEMBL4594160 | 0.95 | SIRT2 (0.48) | SIRT2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL485372 | 0.94 | SIRT2 (0.43) | SIRT2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16765691 | 0.94 | SIRT2 (0.43) | SIRT2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5794054 | 0.94 | SIRT2 (0.43) | SIRT2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1941414 | 0.94 | SIRT2 (0.43) | SIRT2HDAC3HDAC4HDAC1HDAC7 | |
| Fluoride Ion SCHEMBL15769690 | 0.93 | SIRT2 (0.47) | SIRT2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL118552 | 0.93 | SIRT2 (0.49) | SIRT2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29544944 | 0.93 | SIRT2 (0.49) | SIRT2HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107629059-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-07-28 | — | — | CN | disclosed |
| CN-110590787-A | Process for the preparation of ATR kinase inhibitors and different solid forms thereof | 沃泰克斯药物股份有限公司 | 2019-12-20 | — | — | CN | disclosed |