Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.46 |
| ▸ | USP2 | O75604 | 7/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1800729 | 0.87 | CYP2D6 (0.50) | CYP2D6ALDH1A1CYP2C9TSHRCYP1A2 | |
| SCHEMBL1803452 | 0.85 | NPC1 (0.52) | CYP2D6ALDH1A1CYP2C9TSHRCYP1A2 | |
| SCHEMBL1798461 | 0.83 | CYP2D6 (0.48) | CYP2D6ALDH1A1CYP2C9TSHRCYP1A2 | |
| SCHEMBL2936250 | 0.80 | CHRM2 (0.48) | ALDH1A1TSHRCHRM2SMN1; SMN2 | |
| SCHEMBL1800751 | 0.79 | CYP3A4 (0.55) | CYP2D6ALDH1A1CYP2C9TSHRCYP1A2 | |
| SCHEMBL4006029 | 0.79 | CYP3A4 (0.55) | CYP2D6ALDH1A1CYP2C9TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL1802546 | 0.78 | CYP3A4 (0.54) | CYP2D6ALDH1A1CYP2C9TSHRCYP1A2 | |
| SCHEMBL1805280 | 0.77 | ALDH1A1 (0.53) | CYP2D6ALDH1A1CYP2C9TSHRCYP1A2 | |
| SCHEMBL1800591 | 0.77 | CYP1A2 (0.47) | CYP2D6ALDH1A1CYP2C9TSHRCYP1A2 | |
| SCHEMBL4006906 | 0.77 | CYP2D6 (0.53) | CYP2D6ALDH1A1CYP2C9TSHRCYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | claimed |