Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RYR2 | Q92736 | 3/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8651466 | 0.85 | ALOX5 (0.38) | HPGDMAPTALDH1A1PLA2G1BATG4B | |
| SCHEMBL214797 | 0.82 | NOTUM (0.40) | HPGDMAPTALDH1A1RYR2ALOX5 | |
| SCHEMBL7251900 | 0.81 | CA12 (0.46) | HPGDMAPTALDH1A1PLA2G1BATG4B | |
| SCHEMBL7247717 | 0.77 | TSHR (0.42) | HPGDMAPTALDH1A1PLA2G1BATG4B | |
| SCHEMBL7382853 | 0.72 | MAPT (0.31) | HPGDMAPTALDH1A1PLA2G1BATG4B | |
| SCHEMBL29427899 | 0.71 | MAOA (0.49) | HPGDALDH1A1ALOX5NOTUMKDM4E | |
| SCHEMBL983738 | 0.71 | MAOA (0.49) | HPGDALDH1A1ALOX5NOTUMKDM4E | |
| SCHEMBL7682561 | 0.70 | ALDH1A1 (0.42) | HPGDMAPTALDH1A1RYR2ALOX5 | |
| SCHEMBL10334576 | 0.70 | KDM4E (0.48) | ALDH1A1KDM4E | |
| SCHEMBL5206017 | 0.70 | ALDH1A1 (0.41) | HPGDMAPTALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6566535-B1 | Causing an orthohalogenobenzaldehyde or derivative to react with a propanethiol having an electron-attracting group at its 4- position. | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-20 | — | — | US | disclosed |
| EP-1184381-A1 | PROCESSES FOR THE PREPARATION OF 2,3-DIHYDROTHIEPINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-03-06 | — | — | EP | disclosed |
| EP-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |