Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | GLS | O94925 | 2/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6691001 | 0.95 | CYP4F2 (0.51) | CYP3A4CYP2C19CYP4F2CYP4A11AURKA | |
| SCHEMBL13623152 | 0.92 | CYP3A4 (0.50) | CYP3A4CYP2C19CYP4F2CYP4A11AURKA | |
| SCHEMBL30844047 | 0.92 | CYP3A4 (0.50) | CYP3A4CYP2C19CYP4F2CYP4A11AURKA | |
| SCHEMBL27399236 | 0.89 | TLR7 (0.54) | CYP3A4CYP2C19AURKARPS6KB1SIRT2 | |
| SCHEMBL21219242 | 0.88 | AURKA (0.48) | CYP3A4CYP2C19AURKARPS6KB1SIRT2 | |
| SCHEMBL7378493 | 0.87 | NPC1 (0.48) | CYP3A4CYP2C19AURKARPS6KB1SIRT2 | |
| SCHEMBL2065025 | 0.87 | CYP3A4 (0.44) | CYP3A4CYP2C19CYP4F2CYP4A11AURKA | |
| SCHEMBL7156537 | 0.86 | MGLL (0.52) | CYP3A4CYP2C19AURKARPS6KB1SIRT2 | |
| SCHEMBL13801959 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C19AURKARPS6KB1SIRT2 | |
| SCHEMBL27498370 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C19AURKARPS6KB1SIRT2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101875666-B | Optical pure 1,3-alkamine compound as well as preparation method and application thereof in preparing Dapoxetine and analogues thereof | ASTATECH CHENGDU PHARMACEUTICAL CO LTD | 2011-12-28 | — | — | CN | disclosed |
| CN-101875666-A | Optical pure 1,3-alkamine compound as well as preparation method and application thereof in preparing Dapoxetine and analogues thereof | ASTATECH CHENGDU PHARMACEUTICAL CO LTD | 2010-11-03 | — | — | CN | disclosed |
| WO-2010080478-A1 | COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-07-15 | — | — | WO | disclosed |
| US-6235731-B1 | REDUCING BLOOD LIPIDS, SUGARS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| CN-1223659-A | Fused imidazopyridine derivatives as antihyperlipidemic agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-07-21 | — | — | CN | disclosed |
| EP-0915888-A1 | FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS | Takeda Chemical Industries, Ltd. (JP) | 1999-05-19 | — | — | EP | disclosed |
| WO-1997040051-A1 | FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-30 | — | — | WO | disclosed |