Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18185780 | 0.86 | LMNA (0.32) | LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL6169363 | 0.84 | LMNA (0.31) | LMNASMN1; SMN2 | |
| SCHEMBL6170419 | 0.72 | — | — | |
| SCHEMBL8800727 | 0.64 | — | — | |
| SCHEMBL29467540 | 0.63 | ALDH1A1 (0.50) | LMNASMN1; SMN2ALDH1A1KDM4ETDP1 | |
| SCHEMBL3063023 | 0.63 | CYP11B2 (0.41) | LMNASMN1; SMN2ALDH1A1KDM4ETDP1 | |
| SCHEMBL160602 | 0.63 | BTK (0.47) | ALDH1A1KDM4ETDP1POLBRAB9A | |
| SCHEMBL4716253 | 0.61 | ALDH1A1 (0.50) | LMNASMN1; SMN2ALDH1A1KDM4ETDP1 | |
| SCHEMBL2132258 | 0.61 | LMNA (0.39) | LMNASMN1; SMN2ALDH1A1KDM4ETDP1 | |
| SCHEMBL3401912 | 0.61 | ALDH1A1 (0.56) | LMNASMN1; SMN2ALDH1A1KDM4ETDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107266376-B | LLM-105 nitramine derivatives and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2020-01-31 | — | — | CN | claimed |
| CN-105294580-B | Oxide of 3,5 diaminourea of compound, 2,6 dinitro pyrazine 1 and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-02-06 | — | — | CN | claimed |
| CN-107266376-A | A kind of nitramine derivatives of LLM 105 and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2017-10-20 | — | — | CN | claimed |
| CN-105294580-A | Compound 3,5-diamino-2,6-dinitropyrazine-1-oxide and preparation method thereof | INST CHEMICAL MATERIAL CHINA ACADEMY ENGINEERING PHYSICS | 2016-02-03 | — | — | CN | claimed |
| CN-107266376-B | LLM-105 nitramine derivatives and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2020-01-31 | — | — | CN | disclosed |
| CN-105294580-B | Oxide of 3,5 diaminourea of compound, 2,6 dinitro pyrazine 1 and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-02-06 | — | — | CN | disclosed |
| CN-107266376-A | A kind of nitramine derivatives of LLM 105 and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2017-10-20 | — | — | CN | disclosed |
| CN-105294580-A | Compound 3,5-diamino-2,6-dinitropyrazine-1-oxide and preparation method thereof | INST CHEMICAL MATERIAL CHINA ACADEMY ENGINEERING PHYSICS | 2016-02-03 | — | — | CN | disclosed |
| CN-105294580-A | Compound 3,5-diamino-2,6-dinitropyrazine-1-oxide and preparation method thereof | INST CHEMICAL MATERIAL CHINA ACADEMY ENGINEERING PHYSICS | 2016-02-03 | — | — | CN | disclosed |