Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.56 |
| ▸ | LTA4H | P09960 | 3/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.46 |
| ▸ | GAK | O14976 | 1/20 | 0.46 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.46 |
| ▸ | FECH | P22830 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.46 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.46 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6069522 | 1.00 | BACE1 (0.56) | BACE1LTA4HHRH3MAP4K4GAK | |
| SCHEMBL6070257 | 1.00 | BACE1 (0.56) | BACE1LTA4HHRH3MAP4K4GAK | |
| SCHEMBL6069752 | 0.99 | LTA4H (0.55) | BACE1LTA4HHRH3MAP4K4GAK | |
| SCHEMBL6070692 | 0.95 | HRH3 (0.52) | BACE1LTA4HHRH3KDM4EALDH1A1 | |
| SCHEMBL6070752 | 0.88 | HRH3 (0.47) | BACE1LTA4HHRH3KDM4E | |
| SCHEMBL1377237 | 0.87 | LTA4H (0.47) | BACE1LTA4H | |
| SCHEMBL6070196 | 0.86 | LTA4H (0.45) | BACE1LTA4HHRH3KCNH2 | |
| SCHEMBL6070495 | 0.85 | HTR7 (0.40) | BACE1LTA4HHRH3KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6069894 | 0.85 | LTA4H (0.44) | BACE1LTA4HHRH3KCNH2 | |
| SCHEMBL1377248 | 0.84 | L3MBTL1 (0.53) | LTA4HKDM4EL3MBTL1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4717306-B2 | — | — | 2011-07-06 | — | — | JP | claimed |
| US-7091199-B1 | Thienoisoxazole phenoxy unsubstituted ethyl and propyl derivatives useful as d4 antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-15 | — | — | US | claimed |
| EP-1216249-B1 | THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMA INC (US) | 2003-11-19 | — | — | EP | claimed |
| JP-2003509431-A | — | — | 2003-03-11 | — | — | JP | claimed |
| EP-1216249-A2 | THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2002-06-26 | — | — | EP | claimed |
| WO-2001019832-A2 | THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | claimed |
| US-7091199-B1 | Thienoisoxazole phenoxy unsubstituted ethyl and propyl derivatives useful as d4 antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-15 | — | — | US | disclosed |
| EP-1216249-B1 | THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMA INC (US) | 2003-11-19 | — | — | EP | disclosed |