Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NAMPT | P43490 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4000579 | 0.84 | CYP3A4 (0.36) | CYP3A4POLBL3MBTL1NPSR1ALDH1A1 | |
| SCHEMBL4001759 | 0.83 | KMT2A (0.42) | CYP3A4POLBALDH1A1KMT2AATM | |
| SCHEMBL4285003 | 0.82 | MMP2 (0.33) | NAMPT | |
| SCHEMBL5666116 | 0.72 | HDAC8 (0.35) | NAMPTJAK1 | |
| SCHEMBL5666327 | 0.69 | HDAC8 (0.33) | NAMPT | |
| SCHEMBL27381769 | 0.69 | POLB (0.55) | CYP3A4POLBL3MBTL1NPSR1ALDH1A1 | |
| SCHEMBL1799979 | 0.69 | CYP3A4 (0.40) | CYP3A4POLBL3MBTL1NPSR1ALDH1A1 | |
| SCHEMBL12764374 | 0.67 | POLB (0.53) | CYP3A4POLBL3MBTL1NPSR1ALDH1A1 | |
| SCHEMBL22434895 | 0.66 | POLB (0.70) | POLBL3MBTL1NPSR1ALDH1A1KMT2A | |
| SCHEMBL674328 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005095402-A9 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2009-06-11 | — | — | WO | claimed |
| WO-2005095402-A9 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2009-06-11 | — | — | WO | disclosed |
| EP-1730147-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095402-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | disclosed |