Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | SMO | Q99835 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.41 |
| ▸ | MERTK | Q12866 | 1/20 | 0.41 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9073239 | 0.77 | HTR7 (0.54) | HTR7SCN9AHTR1APLD1ALDH1A1 | |
| SCHEMBL5800534 | 0.74 | ADRB1 (0.58) | EPHX2ADRB1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL9069333 | 0.73 | HTR7 (0.59) | HTR7HTR1APLD1ALDH1A1KDM4E | |
| SCHEMBL29271209 | 0.71 | ADRB1 (0.50) | EPHX2ADRB1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL5317683 | 0.71 | SCN9A (0.52) | EPHX2ADRB1HTR7CYP1A2CYP2C9 | |
| SCHEMBL30422841 | 0.70 | KDM4E (0.53) | ADRB1HTR7HTR1APLD1ALDH1A1 | |
| SCHEMBL31106280 | 0.68 | HTR7 (0.57) | ADRB1HTR7HTR1APLD1ADRB2 | |
| SCHEMBL5799177 | 0.68 | EPHX2 (0.49) | EPHX2ADRB1HTR7HTR1APLD1 | |
| SCHEMBL230177 | 0.67 | ADRB1 (1.00) | EPHX2ADRB1ALDH1A1KDM4E | |
| SCHEMBL233710 | 0.67 | EPHX2 (1.00) | EPHX2NCF1 |
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-1644358-A2 | BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005007648-A2 | BIARYL PIPERAZINYL-PYRIDINE ANALOGUES | NEUROGEN CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |