Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 9/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1800751 | 1.00 | CYP3A4 (0.55) | CYP3A4ALDH1A1CYP2D6CHRM2USP2 | |
| Hydrochloric Acid SCHEMBL1802546 | 0.99 | CYP3A4 (0.54) | CYP3A4ALDH1A1CYP2D6CHRM2USP2 | |
| SCHEMBL1800925 | 0.88 | ALDH1A1 (0.47) | CYP3A4ALDH1A1CYP2D6CHRM2USP2 | |
| SCHEMBL1800591 | 0.88 | CYP1A2 (0.47) | CYP3A4ALDH1A1CYP2D6CHRM2USP2 | |
| SCHEMBL3926088 | 0.86 | CXCR3 (0.41) | CYP2D6CHRM2 | |
| SCHEMBL1805280 | 0.84 | ALDH1A1 (0.53) | CYP3A4ALDH1A1CYP2D6CHRM2USP2 | |
| SCHEMBL1797763 | 0.84 | CYP2D6 (0.51) | CYP3A4ALDH1A1CYP2D6USP2CYP2C19 | |
| SCHEMBL2937853 | 0.84 | RIPK1 (0.47) | CYP3A4ALDH1A1CYP2D6CHRM2CYP2C19 | |
| SCHEMBL1801302 | 0.84 | RIPK1 (0.47) | CYP3A4ALDH1A1CYP2D6CHRM2CYP2C19 | |
| SCHEMBL4000263 | 0.84 | RIPK1 (0.47) | CYP3A4ALDH1A1CYP2D6CHRM2CYP2C19 |
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 3 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 | 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 |