Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 17/20 | 0.60 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.60 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.60 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | FPR3 | P25089 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11671740 | 0.85 | ADRB2 (0.61) | ADRB2ADRB3ADRB1CHRM3DRD2 | |
| Hydrochloric Acid SCHEMBL11744911 | 0.84 | ADRB2 (0.60) | ADRB2ADRB3ADRB1PDE4BCHRM3 | |
| SCHEMBL6003049 | 0.84 | ADRB2 (0.69) | ADRB2ADRB3ADRB1DRD2SLC6A4 | |
| SCHEMBL10488173 | 0.81 | ADRB2 (0.69) | ADRB2ADRB3ADRB1CHRM3DRD2 | |
| SCHEMBL3060193 | 0.80 | ADRB2 (0.59) | ADRB2ADRB3ADRB1PDE4BCHRM3 | |
| SCHEMBL3060189 | 0.80 | ADRB2 (0.59) | ADRB2ADRB3ADRB1PDE4BCHRM3 | |
| SCHEMBL185697 | 0.78 | ADRB2 (0.58) | ADRB2ADRB3ADRB1CHRM3DRD2 | |
| SCHEMBL9938462 | 0.78 | ADRB2 (0.58) | ADRB2ADRB3ADRB1CHRM3DRD2 | |
| Formic Acid SCHEMBL5923690 | 0.78 | ADRB2 (0.70) | ADRB2ADRB3ADRB1SLC6A4ADRA1A | |
| SCHEMBL13415520 | 0.77 | ADRB2 (0.57) | ADRB2ADRB3ADRB1DRD2SLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005123670-A2 | CRYSTALLINE FORM OF A SUBSTITUTED PYRROLIDINE COMPOUND | THERAVANCE, INC. (US) | 2005-12-29 | — | — | WO | disclosed |