Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 4/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | KDM4B | O94953 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7621859 | 0.90 | TAAR1 (0.47) | TAAR1ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL7876115 | 0.84 | SMN1; SMN2 (0.50) | TAAR1ALDH1A1KDM4EHTTPARP1 | |
| SCHEMBL4859685 | 0.83 | TAAR1 (0.41) | TAAR1ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL13939871 | 0.81 | DAO (0.45) | TAAR1HPGDHTTDAOMTOR | |
| SCHEMBL5383006 | 0.79 | PDE3B (0.48) | ALDH1A1DAOTSHRCYP2D6KDM5B | |
| SCHEMBL7412252 | 0.75 | ALDH1A1 (0.54) | ALDH1A1TSHRLMNAGLAKMT2A | |
| SCHEMBL8781507 | 0.74 | CALM1 (0.55) | TAAR1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL9243 | 0.73 | TAAR1 (1.00) | TAAR1ALDH1A1KDM4EGAATSHR | |
| Bromide SCHEMBL29135558 | 0.72 | TAAR1 (0.96) | TAAR1ALDH1A1KDM4EGAATSHR | |
| Hydrochloric Acid SCHEMBL27290500 | 0.72 | TAAR1 (0.96) | TAAR1ALDH1A1KDM4EGAATSHR |
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-6436933-B1 | 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE | STRUCTURAL BIOINFORMATICS INC. | 2002-08-20 | — | — | US | disclosed |