Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL8554735 | 0.96 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Undecane SCHEMBL28453375 | 0.96 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Decane SCHEMBL28102289 | 0.96 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Nonane SCHEMBL27865569 | 0.96 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Heptane SCHEMBL28458543 | 0.96 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Undecane SCHEMBL27865572 | 0.96 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Octane SCHEMBL27625 | 0.96 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Heptane SCHEMBL28681950 | 0.96 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Octane SCHEMBL27624 | 0.96 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Decane SCHEMBL7073253 | 0.92 | TSHR (0.61) | TSHRTHRBDNM1ALDH1A1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117440953-A | Substituted bicyclic heteroaryl compounds as KRAS G12D inhibitors | 苏州浦合医药科技有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-116554208-A | Substituted bicyclic heteroaryl compounds as KRAS G12D inhibitors | 苏州浦合医药科技有限公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-116253748-A | Substituted bicyclic heteroaryl compounds as KRAS G12D inhibitors | 苏州浦合医药科技有限公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-113072435-B | Preparation method of 3-hydroxy-1-indanone derivative containing alkenyl fluorine | 浙江工业大学 | 2022-04-29 | — | — | CN | disclosed |
| CN-109071504-B | Inhibitors of receptor interacting protein kinase 1 | 戴纳立制药公司 | 2022-03-08 | — | — | CN | disclosed |