Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5378791 | 0.84 | CYP19A1 (0.38) | CYP19A1EGFRSRCALDH1A1IDO1 | |
| SCHEMBL5330718 | 0.77 | HTR6 (0.54) | CYP19A1EGFRSRCALDH1A1PTGS2 | |
| SCHEMBL5420154 | 0.77 | EGFR (0.44) | CYP19A1EGFRSRCALDH1A1IDO1 | |
| Hydrochloric Acid SCHEMBL5332344 | 0.68 | HTR2A (0.54) | ALDH1A1KDM4EHPGD | |
| SCHEMBL5330477 | 0.67 | HTR2A (0.57) | ALDH1A1KDM4EHPGD | |
| SCHEMBL5331960 | 0.67 | CHRNB2 (0.46) | CYP19A1ALDH1A1GFERKDM4EHPGD | |
| SCHEMBL10981391 | 0.61 | NR3C1 (0.60) | CYP19A1ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL6167611 | 0.61 | NAMPT (0.46) | EGFRSRCALDH1A1CNR1KDM4E | |
| SCHEMBL5335447 | 0.61 | DRD2 (0.50) | ALDH1A1GAAKDM4E | |
| Hydrochloric Acid SCHEMBL11859405 | 0.61 | HTR6 (0.53) | GAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007046112-A1 | ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS | SUVEN LIFE SCIENCES INC. (IN) | 2007-04-26 | — | — | WO | disclosed |