Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.61 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL233710 | 0.77 | EPHX2 (1.00) | EPHX2NCF1TRPV1 | |
| Hydrochloric Acid SCHEMBL10319192 | 0.76 | EPHX2 (0.97) | EPHX2NCF1TRPV1 | |
| Piperazine SCHEMBL5324447 | 0.76 | EPHX2 (0.97) | EPHX2NCF1TRPV1 | |
| SCHEMBL4560009 | 0.75 | HRH4 (0.54) | HRH4CYP1A2HRH3 | |
| SCHEMBL5800534 | 0.72 | ADRB1 (0.58) | EPHX2CYP1A2CYP2C9KDM4EALDH1A1 | |
| SCHEMBL5800527 | 0.72 | CYP1A2 (0.72) | EPHX2HRH4CYP1A2CYP2C9KDM4E | |
| SCHEMBL5356587 | 0.72 | EPHX2 (0.89) | EPHX2NCF1TRPV1 | |
| Hydrochloric Acid SCHEMBL3321413 | 0.72 | EPHX2 (0.64) | EPHX2CYP1A2CYP2C9KDM4EALDH1A1 | |
| SCHEMBL3322414 | 0.70 | EPHX2 (0.61) | EPHX2HRH4CYP1A2CYP2C9KDM4E | |
| SCHEMBL13724424 | 0.70 | HRH3 (0.49) | HRH4KDM4EALDH1A1HRH3 |
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 |