Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 6/20 | 0.34 |
| ▸ | CA1 | P00915 | 6/20 | 0.34 |
| ▸ | CA2 | P00918 | 6/20 | 0.34 |
| ▸ | CA9 | Q16790 | 6/20 | 0.34 |
| ▸ | CA7 | P43166 | 3/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL28965299 | 0.85 | TSHR (0.53) | TSHRHCAR2CA12CA1CA2 | |
| SCHEMBL2244398 | 0.81 | TSHR (0.43) | TSHRHCAR2CA12CA1CA2 | |
| SCHEMBL8272086 | 0.81 | TSHR (0.43) | TSHRHCAR2CA12CA1CA2 | |
| SCHEMBL2246643 | 0.81 | TSHR (0.43) | TSHRHCAR2CA12CA1CA2 | |
| SCHEMBL5077477 | 0.80 | TSHR (0.48) | TSHRHCAR2CA12CA1CA2 | |
| SCHEMBL9999821 | 0.80 | TSHR (0.48) | TSHRHCAR2CA12CA1CA2 | |
| SCHEMBL682227 | 0.80 | TSHR (0.48) | TSHRHCAR2CA12CA1CA2 | |
| Bromide SCHEMBL28560064 | 0.78 | TSHR (0.46) | TSHRHCAR2CA12CA1CA2 | |
| SCHEMBL11518736 | 0.77 | TSHR (0.50) | TSHRHCAR2CA12CA1CA2 | |
| SCHEMBL6180156 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0774452-B1 | Optically active compounds having plural chiral centers and the production thereof | CHISSO CORP (JP) | 2000-01-26 | — | — | EP | disclosed |
| EP-0428392-B1 | Processes for the preparation of optically active compounds having plural chiral centers | CHISSO CORP (JP) | 1998-05-27 | — | — | EP | disclosed |
| EP-0774452-A1 | Optically active compounds having plural chiral centers and the production thereof | Chisso Corporation (JP) | 1997-05-21 | — | — | EP | disclosed |
| US-5574182-A | HYDROLYSING 3-HYDROXYCARBOXYLIC ACID, CYCLIZING ESTER TO FORM 1,3-DIOXAN-4-ONE, DECYCLIZATION AND ESTERIFICATION | CHISSO CORPORATION (JP) | 1996-11-12 | — | — | US | disclosed |
| US-5411877-A | Esterification | CHISSO CORPORATION (JP) | 1995-05-02 | — | — | US | disclosed |
| US-5348870-A | Using hydrolase to effect ester interchange and resolution, then alcoholysis or hydrolysis and dehydration with cyclization and crystallization | CHISSO CORPORATION (JP) | 1994-09-20 | — | — | US | disclosed |
| EP-0428392-A2 | Optically active compounds having plural chiral centers and the production thereof | Chisso Corporation (JP) | 1991-05-22 | — | — | EP | disclosed |