Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.57 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.31 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8893398 | 1.00 | SLC22A6 (0.57) | SLC22A6GABRR1LMNATSHRMAPT | |
| SCHEMBL8893405 | 1.00 | SLC22A6 (0.57) | SLC22A6GABRR1LMNATSHRMAPT | |
| SCHEMBL3063573 | 0.87 | — | — | |
| SCHEMBL1405790 | 0.87 | — | — | |
| SCHEMBL4020060 | 0.87 | — | — | |
| SCHEMBL6453593 | 0.87 | SLC22A6 (0.75) | SLC22A6GABRR1LMNATSHRMAPT | |
| SCHEMBL6557026 | 0.77 | SLC22A6 (0.60) | SLC22A6GABRR1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL1135908 | 0.77 | SLC22A6 (0.60) | SLC22A6GABRR1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL4671010 | 0.77 | SLC22A6 (0.60) | SLC22A6GABRR1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL25427974 | 0.76 | SLC22A6 (0.67) | SLC22A6GABRR1LMNATSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5594153-A | REACTING 6-HALO-3,5-DIHYDROXYHEXANOIC ACID OR DERIVATIVE THEREOF WITH DIETHER, KETONE OR UNSATURATED ETHER TO FORM 1,3-DIOXANE DERIVATIVE | E. R. SQUIBB & SONS, INC. (US) | 1997-01-14 | — | — | US | disclosed |
| US-5457227-A | Condensing halo-substituted hydroxy ester with acetic acid, acetate salt or ester in presence of condensation agent to produce halo-substituted hydroxy keto ester | E. R. SQUIBB & SONS, INC. (US) | 1995-10-10 | — | — | US | disclosed |
| US-5278313-A | Chemical condensation reaction | E. R. SQUIBB & SONS, INC. (US) | 1994-01-11 | — | — | US | disclosed |