Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RBP4 | P02753 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL5800527 | 0.78 | CYP1A2 (0.72) | ADRB1EPHX2CYP1A2CYP2C9NCF1 | |
| SCHEMBL27062796 | 0.74 | CCNT1 (0.51) | ADRB1KDM4EALDH1A1ACHECCNT1 | |
| SCHEMBL5800530 | 0.74 | EPHX2 (0.50) | ADRB1EPHX2CYP1A2CYP2C9NCF1 | |
| SCHEMBL230177 | 0.74 | ADRB1 (1.00) | ADRB1EPHX2KDM4EALDH1A1RBP4 | |
| SCHEMBL233710 | 0.74 | EPHX2 (1.00) | EPHX2NCF1TRPV1 | |
| Hydrochloric Acid SCHEMBL17541669 | 0.73 | ADRB1 (0.97) | ADRB1EPHX2KDM4EALDH1A1RBP4 | |
| Piperazine SCHEMBL5324447 | 0.73 | EPHX2 (0.97) | EPHX2NCF1TRPV1 | |
| Hydrochloric Acid SCHEMBL10319192 | 0.73 | EPHX2 (0.97) | EPHX2NCF1TRPV1 | |
| SCHEMBL2225874 | 0.73 | KMT2A (0.57) | ADRB1KDM4EALDH1A1ACHEHTR2C | |
| SCHEMBL5799183 | 0.72 | EPHX2 (0.61) | EPHX2CYP1A2CYP2C9NCF1KDM4E |
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 |