Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP5 | P51878 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.38 |
| ▸ | HTR3B | O95264 | 3/20 | 0.38 |
| ▸ | HTR3A | P46098 | 3/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19865063 | 0.78 | HPGDS (0.36) | CASP1CASP4CASP5 | |
| SCHEMBL16238283 | 0.78 | HTR3E (0.43) | CASP1CASP4CASP5HTR2CHTR2A | |
| SCHEMBL19865041 | 0.76 | MAP4K4 (0.45) | HRH4HRH3HTR3AHTR1AHTR6 | |
| SCHEMBL20632335 | 0.76 | CASP1 (0.49) | CASP1CASP4CASP5HTR2CHTR2A | |
| SCHEMBL19365307 | 0.73 | ALOX5 (0.33) | HTR2CHTR2AHRH4HRH3HTR3E | |
| SCHEMBL19365510 | 0.69 | CHRNA3 (0.34) | — | |
| SCHEMBL19865061 | 0.66 | HTR3A (0.41) | HRH4HRH3HTR3EHTR3BHTR3A | |
| SCHEMBL12685315 | 0.65 | HTR3E (0.58) | CASP1CASP4CASP5HTR2CHTR3E | |
| SCHEMBL19365267 | 0.64 | USP30 (0.38) | — | |
| SCHEMBL19670116 | 0.64 | CASP1 (0.34) | CASP1CASP4CASP5HRH4HRH3 |
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-9834558-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-12-05 | — | — | US | disclosed |