Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.59 |
| ▸ | RET | P07949 | 3/20 | 0.50 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | PREP | P48147 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22909889 | 1.00 | HDAC1 (0.59) | HDAC1RETGPR119KCNK3KCNK9 | |
| SCHEMBL24428346 | 1.00 | HDAC1 (0.59) | HDAC1RETGPR119KCNK3KCNK9 | |
| SCHEMBL21909144 | 0.93 | RET (0.52) | HDAC1RETGPR119KCNK3KCNK9 | |
| SCHEMBL29567107 | 0.93 | RET (0.52) | HDAC1RETGPR119KCNK3KCNK9 | |
| SCHEMBL24240917 | 0.93 | RET (0.52) | HDAC1RETGPR119KCNK3KCNK9 | |
| SCHEMBL20468896 | 0.87 | HDAC1 (0.60) | HDAC1RETGPR119HSD11B1JAK1 | |
| SCHEMBL21262007 | 0.86 | HDAC1 (0.59) | HDAC1RETGPR119KCNK3KCNK9 | |
| SCHEMBL20456823 | 0.86 | HDAC1 (0.62) | HDAC1RETGPR119KCNK3KCNK9 | |
| SCHEMBL5041626 | 0.86 | HDAC1 (0.59) | HDAC1RETGPR119KCNK3KCNK9 | |
| SCHEMBL29356365 | 0.86 | HDAC1 (0.64) | HDAC1RETGPR119HSD11B1JAK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117865952-A | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-114072404-B | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2023-09-15 | — | — | CN | disclosed |
| EP-3998265-A1 | RET SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | Shouyao Holdings (Beijing) Co., Ltd. (CN) | 2022-05-18 | — | — | EP | disclosed |