Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MBOAT4 | Q96T53 | 2/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29975689 | 0.89 | ALDH1A1 (0.52) | ALDH1A1CYP2D6ATMPIK3CANPSR1 | |
| Ammonia Solution, Strong SCHEMBL26694782 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CYP2D6ATMPIK3CANPSR1 | |
| SCHEMBL30998660 | 0.82 | ALDH1A1 (0.48) | ALDH1A1CYP2D6ATMNPSR1POLB | |
| SCHEMBL29937376 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMNPSR1POLB | |
| SCHEMBL16668538 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CYP2D6ATMPIK3CANPSR1 | |
| SCHEMBL29687392 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMNPSR1POLB | |
| SCHEMBL28996034 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMNPSR1POLB | |
| SCHEMBL29936900 | 0.75 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMNPSR1POLB | |
| SCHEMBL28729752 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMNPSR1POLB | |
| SCHEMBL29433996 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMNPSR1POLB |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117903117-A | Preparation method of KRAS G12C inhibitor divarasib | 云南万宏医药科技有限公司 | 2024-04-19 | — | — | CN | claimed |
| CN-118302162-A | Small molecule inhibitors of KRAS muteins | 默沙东有限责任公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-118084870-A | Condensed ring compound | 豪夫迈·罗氏有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-118084867-A | Condensed ring compound | 豪夫迈·罗氏有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-118084866-A | Condensed ring compound | 豪夫迈·罗氏有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-118084868-A | Condensed ring compound | 豪夫迈·罗氏有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-117903117-A | Preparation method of KRAS G12C inhibitor divarasib | 云南万宏医药科技有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-112105419-B | Condensed ring compound | 豪夫迈·罗氏有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-117642407-A | Nitrogen-containing heterocyclic compound, preparation method, intermediate and application thereof | 上海艾力斯医药科技股份有限公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-117561063-A | Heterocyclic compounds and methods of use | 安进公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-117242074-A | KRAS G12D inhibitors | 百时美施贵宝公司 | 2023-12-15 | — | — | CN | disclosed |
| CN-117177976-A | KRAS inhibitors | 百时美施贵宝公司 | 2023-12-05 | — | — | CN | disclosed |
| CN-117083279-A | Oxazepine compounds and their use in the treatment of cancer | 基因泰克公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-116867792-A | Tetraepoxyazepine compound and use thereof | 基因泰克公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-115151532-B | Quinoxalindione derivatives as irreversible inhibitors of KRAS G12C muteins | 北京泰德制药股份有限公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-115716840-A | Heterocyclic compound with KRAS (KRAS-mutated protein) inhibition effect and pharmaceutical composition and application thereof | 昆药集团股份有限公司 | 2023-02-28 | — | — | CN | disclosed |
| CN-115151532-A | Quinoxalinedione derivatives as irreversible inhibitors of KRAS G12C muteins | 北京泰德制药股份有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-112105419-A | Fused ring compound | 豪夫迈·罗氏有限公司 | 2020-12-18 | — | — | CN | disclosed |