Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 11/20 | 0.37 |
| ▸ | ACHE | P22303 | 11/20 | 0.37 |
| ▸ | SCN1A | P35498 | 2/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6028157 | 0.84 | ACHE (0.39) | BCHEACHEKDM4ECHRM2HTR1A | |
| SCHEMBL6017485 | 0.81 | CHRM3 (0.37) | KDM4EHTR1ADRD2HTR7HTR6 | |
| SCHEMBL4691377 | 0.81 | KMT2A (0.36) | LMNAHTR1ADRD2HTR7HTR6 | |
| SCHEMBL6017536 | 0.81 | HTR1A (0.36) | HTR1ADRD2HTR7HTR6ALDH1A1 | |
| SCHEMBL6017445 | 0.77 | CHRM2 (0.39) | KDM4ECHRM2ALDH1A1 | |
| SCHEMBL6022022 | 0.77 | CHRM2 (0.39) | BCHEACHEKDM4ECHRM2HTR1A | |
| SCHEMBL6022322 | 0.77 | ADRB2 (0.35) | BCHEACHEKDM4ECHRM2CHRM1 | |
| SCHEMBL3726076 | 0.77 | CHRM3 (0.37) | BCHEACHE | |
| SCHEMBL2639275 | 0.76 | CHRM2 (0.45) | BCHEACHEKDM4ECHRM2LMNA | |
| SCHEMBL5273742 | 0.75 | NAMPT (0.35) | KDM4ECHRM2LMNATHRBDRD2 |
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-1615889-A2 | BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance Inc (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004074246-A2 | BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE INC. (US) | 2004-09-02 | — | — | WO | disclosed |