Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 8/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.32 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.32 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27869872 | 0.80 | HTR2C (0.35) | GSK3BHTR2CCYP2D6 | |
| SCHEMBL27852940 | 0.76 | FFAR4 (0.35) | GSK3BNOTUMXIAPBIRC2CYP2D6 | |
| SCHEMBL27869827 | 0.74 | GSK3B (0.35) | GSK3BEIF2AK4 | |
| SCHEMBL581224 | 0.73 | PLG (0.57) | HTR2C | |
| Acetic Acid SCHEMBL27853008 | 0.69 | PLG (0.52) | — | |
| SCHEMBL8689391 | 0.68 | ADRB1 (0.47) | GSK3BHTR3EHTR3BALDH1A1HTR1D | |
| SCHEMBL38655612 | 0.65 | HTR2C (0.41) | HTR3EHTR3BALDH1A1HTR1DHTR2C | |
| SCHEMBL38656090 | 0.64 | CHRNB2 (0.38) | HTR3EHTR3BALDH1A1HTR1DHTR2C | |
| SCHEMBL38655209 | 0.63 | PNMT (0.38) | HTR3EHTR3BALDH1A1HTR1DHTR2C | |
| Hydrochloric Acid SCHEMBL38654991 | 0.63 | CHRNB2 (0.38) | HTR3EHTR3BALDH1A1HTR1DHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102459246-B | Isoxazol-3 (2H) -one analogs as therapeutic agents | ASTRAZENECA AB | 2014-05-07 | — | — | CN | disclosed |
| CN-102459246-A | Isoxazol-3 (2H) -one analogs as therapeutic agents | ASTRAZENECA AB | 2012-05-16 | — | — | CN | disclosed |