Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 6/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL578604 | 0.87 | LMNA (0.73) | LMNATSHRCYP3A4NFKB1ADRA1A | |
| SCHEMBL29464244 | 0.81 | LMNA (0.85) | LMNATSHRCYP3A4NFKB1ADRA1A | |
| SCHEMBL21891492 | 0.80 | TSHR (0.55) | LMNATSHRCYP3A4NFKB1ADRA1A | |
| SCHEMBL12890775 | 0.77 | TSHR (0.56) | LMNATSHRCYP3A4NFKB1ADRA1A | |
| SCHEMBL20445376 | 0.75 | TSHR (0.53) | LMNATSHRCYP3A4NFKB1ADRA1A | |
| SCHEMBL15435259 | 0.75 | TSHR (0.34) | LMNATSHRCYP3A4NFKB1ADRA1A | |
| Carisoprodol SCHEMBL8379174 | 0.74 | TSHR (1.00) | LMNATSHRCYP3A4NFKB1ADRA1A | |
| Carisoprodol SCHEMBL2232476 | 0.74 | TSHR (1.00) | LMNATSHRCYP3A4NFKB1ADRA1A | |
| Carisoprodol SCHEMBL158375 | 0.74 | TSHR (1.00) | LMNATSHRCYP3A4NFKB1ADRA1A | |
| Carisoprodol SCHEMBL33286 | 0.74 | TSHR (1.00) | LMNATSHRCYP3A4NFKB1ADRA1A |
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-100519548-C | Method for synthesizing 5-methyl-5-propyl-1,3-dioxane-2-ketone and carisoprodol | CHONGQING ENSKY CHEMICAL CO LT (CN) | 2009-07-29 | — | — | CN | disclosed |
| CN-101289441-A | Method for synthesizing 5-methyl-5-propyl-1,3-dioxane-2-ketone and carisoprodol | CHONGQING ENSKY CHEMICAL CO LT (CN) | 2008-10-22 | — | — | CN | disclosed |