Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.51 |
| ▸ | HTR3B | O95264 | 3/20 | 0.51 |
| ▸ | HTR3A | P46098 | 3/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.51 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.51 |
| ▸ | IDO1 | P14902 | 4/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL16244351 | 0.84 | HTR3E (0.54) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL3661748 | 0.80 | IDO1 (0.42) | IDO1TAAR1PNMT | |
| SCHEMBL13667239 | 0.78 | MAOB (0.49) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL3663873 | 0.77 | CYP1A2 (0.48) | CYP3A4 | |
| SCHEMBL28951399 | 0.76 | TYR (0.54) | TAAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1624038 | 0.75 | HTR3E (0.57) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL21815745 | 0.75 | ESR1 (0.59) | ALDH1A1KMT2AMEN1HPGDSMN1; SMN2 | |
| SCHEMBL29908312 | 0.75 | HCAR2 (0.50) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL150216 | 0.75 | HCAR2 (0.50) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL4281756 | 0.73 | APP (0.48) | TAAR1SIRT2ALDH1A1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2139895-A1 | AZA-PYRIDOPYRIMIDINONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008116742-A1 | AZA-PYRIDOPYRIMIDINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-02 | — | — | WO | disclosed |