Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.64 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.59 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL189454 | 0.98 | HRH3 (0.67) | HRH3TAAR1GFERSIGMAR1MAOB | |
| Hydrochloric Acid SCHEMBL6675945 | 0.95 | HRH3 (0.64) | HRH3TAAR1GFERSIGMAR1MAOB | |
| SCHEMBL18762839 | 0.85 | HRH3 (0.84) | HRH3TAAR1SIGMAR1AOC3ALDH1A1 | |
| SCHEMBL1728762 | 0.84 | GFER (0.54) | HRH3TAAR1GFERSIGMAR1MAOB | |
| SCHEMBL9627913 | 0.84 | SIGMAR1 (0.66) | HRH3TAAR1GFERSIGMAR1MAOB | |
| Hydrochloric Acid SCHEMBL3563729 | 0.83 | MAOB (0.55) | HRH3TAAR1GFERSIGMAR1MAOB | |
| SCHEMBL8076000 | 0.83 | SIGMAR1 (0.62) | HRH3TAAR1GFERSIGMAR1MAOB | |
| SCHEMBL15807549 | 0.81 | SIGMAR1 (0.66) | HRH3GFERSIGMAR1MAOB | |
| SCHEMBL27274534 | 0.78 | SIGMAR1 (0.56) | HRH3GFERSIGMAR1MAOBMAOA | |
| SCHEMBL18789268 | 0.78 | GFER (0.65) | HRH3GFERSIGMAR1MAOBMAOA |
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-1706371-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005070872-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2005-08-04 | — | — | WO | disclosed |