Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8772379 | 0.80 | C5AR1 (0.37) | C5AR1CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL1468909 | 0.76 | GABRA1 (0.39) | C5AR1ALDH1A1LMNAHTT | |
| SCHEMBL9064675 | 0.74 | C5AR1 (0.36) | C5AR1CYP1A2 | |
| SCHEMBL5490438 | 0.74 | KMT2A (0.41) | C5AR1CYP1A2ESR1ALDH1A1TSHR | |
| SCHEMBL10373234 | 0.73 | TSHR (0.34) | C5AR1CYP1A2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL7129845 | 0.72 | L3MBTL1 (0.53) | ALDH1A1CYP3A4TSHRLMNA | |
| SCHEMBL7771196 | 0.72 | MAOA (0.40) | C5AR1ESR1ALDH1A1LMNAHTT | |
| SCHEMBL1444328 | 0.71 | ESR1 (0.45) | CYP1A2ESR1ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL8519275 | 0.67 | KEAP1 (0.40) | ALDH1A1HTT | |
| SCHEMBL13792732 | 0.66 | MAPT (0.30) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0609031-B1 | Process for preparing benzothiazepine derivatives | SHIONOGI & CO (JP) | 1997-08-13 | — | — | EP | claimed |
| US-5473066-A | Cyclization, acetylation, hydrolysis, stereoselectivity | SHIONOGI & CO., LTD. (JP) | 1995-12-05 | — | — | US | claimed |
| EP-0609031-A1 | Process for preparing benzothiazepine derivatives | SHIONOGI & CO., LTD. (JP) | 1994-08-03 | — | — | EP | claimed |
| JP-6279398-A | — | — | None | — | — | JP | disclosed |
| US-5756809-A | ADDITION OF ORTHO-AMINOTHIOPHENOL ONTO 3-(4'-METHOXYPHENYL)-GLYCIDIC ACID METHYL ESTER IN THE PRESENCE OF ALKALI METAL SALTS OF WEAK ACIDS AND IN THE PRESENCE OF CATALYTIC AMOUNTS OF IRON COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-05-26 | — | — | US | disclosed |
| EP-0609031-B1 | Process for preparing benzothiazepine derivatives | SHIONOGI & CO (JP) | 1997-08-13 | — | — | EP | disclosed |
| EP-0773213-A2 | Method for the preparation of methyl (2RS,3RS)-3-(2'-aminophenylthio)-2-hydroxy-3-(4\"-methoxyphenyl)propionate | BAYER AG (DE) | 1997-05-14 | — | — | EP | disclosed |
| US-5473066-A | Cyclization, acetylation, hydrolysis, stereoselectivity | SHIONOGI & CO., LTD. (JP) | 1995-12-05 | — | — | US | disclosed |
| JP-H06279398-A | PRODUCTION OF BENZOTHIAZEPINE DERIVATIVE | SHIONOGI & CO LTD | 1994-10-04 | — | — | JP | disclosed |
| EP-0609031-A1 | Process for preparing benzothiazepine derivatives | SHIONOGI & CO., LTD. (JP) | 1994-08-03 | — | — | EP | disclosed |