Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 9/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL746085 | 0.93 | SIGMAR1 (0.47) | USP2CYP2D6SIGMAR1HTR3EHTR3B | |
| SCHEMBL217048 | 0.84 | HSD17B10 (0.51) | USP2CYP2D6SIGMAR1HTR3EHTR3B | |
| SCHEMBL20224849 | 0.84 | USP2 (0.53) | USP2CYP2D6SIGMAR1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL17848669 | 0.82 | USP2 (0.51) | USP2CYP2D6SIGMAR1HTR3EHTR3B | |
| SCHEMBL7010936 | 0.81 | CYP2D6 (0.53) | USP2CYP2D6SIGMAR1HTR3EHTR3B | |
| SCHEMBL16422907 | 0.76 | HTR7 (0.36) | SIGMAR1HTR3AALDH1A1TP53MAPK1 | |
| SCHEMBL38663523 | 0.76 | ADRB2 (0.50) | CYP2D6TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL1207948 | 0.75 | SIGMAR1 (0.47) | USP2CYP2D6SIGMAR1HTR3EHTR3B | |
| SCHEMBL746788 | 0.75 | ADRB1 (0.47) | USP2CYP2D6SIGMAR1HTR3EHTR3B | |
| SCHEMBL7582179 | 0.75 | ADRB1 (0.47) | USP2CYP2D6SIGMAR1HTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| US-7119091-B2 | Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-10-10 | — | — | US | disclosed |