Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6022022 | 0.93 | CHRM2 (0.39) | ADRB2CHRM3CHRM2BCHEACHE | |
| SCHEMBL6028157 | 0.87 | ACHE (0.39) | ADRB2CHRM3CHRM2BCHEACHE | |
| SCHEMBL5247685 | 0.85 | OPRK1 (0.37) | ADRB2OPRK1ADORA3CHRM1ADRA2B | |
| SCHEMBL6023018 | 0.84 | SLC6A5 (0.38) | KDM4ESMN1; SMN2OPRK1OPRM1OPRD1 | |
| SCHEMBL6021930 | 0.84 | LTB4R2 (0.34) | OPRM1 | |
| SCHEMBL5805321 | 0.81 | HDAC3 (0.40) | BCHE | |
| SCHEMBL6022468 | 0.80 | ADRB2 (0.43) | ADRB2KDM4ESMN1; SMN2OPRK1ADORA3 | |
| SCHEMBL6021287 | 0.80 | HTR1A (0.36) | — | |
| SCHEMBL5281472 | 0.80 | TAAR1 (0.37) | CHRM3KDM4EALDH1A1SMN1; SMN2CHRM1 | |
| SCHEMBL6021934 | 0.79 | MEN1 (0.40) | ADRB2CHRM3BCHEALDH1A1SMN1; SMN2 |
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-1723111-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005087732-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-09-22 | — | — | WO | disclosed |