Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 12/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.54 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1840026 | 0.82 | TAAR1 (0.57) | TAAR1SLC6A2ESR1ESR2CALM1 | |
| SCHEMBL14240823 | 0.81 | PPARG (0.41) | TAAR1SLC6A2CYP1A2CYP2C19 | |
| SCHEMBL28979853 | 0.80 | ESR1 (0.52) | TAAR1SLC6A2ESR1ESR2CALM1 | |
| SCHEMBL4394050 | 0.80 | TAAR1 (0.61) | TAAR1SLC6A2ESR1ESR2SLC7A5 | |
| SCHEMBL18609120 | 0.79 | ESR1 (0.57) | TAAR1SLC6A2ESR1ESR2MEN1 | |
| SCHEMBL7254154 | 0.79 | TAAR1 (0.48) | TAAR1SLC6A2ESR1ESR2CALM1 | |
| SCHEMBL9484637 | 0.78 | AGXT (0.44) | TAAR1IDO1CYP1A2CYP2C19 | |
| SCHEMBL7522498 | 0.78 | LPL (0.44) | TAAR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL5710979 | 0.77 | TAAR1 (0.52) | TAAR1SLC6A2ESR1ESR2SLC7A5 | |
| SCHEMBL7259681 | 0.77 | TAAR1 (0.47) | TAAR1SLC6A2ESR1ESR2CALM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2718280-B1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMA SPA (IT) | 2015-09-16 | — | — | EP | disclosed |
| US-8877774-B2 | Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity | CHIESI FARMACEUTICI S.P.A. (IT) | 2014-11-04 | — | — | US | disclosed |
| WO-2012168359-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-12-13 | — | — | WO | disclosed |
| US-5464865-A | Enzyme inhibitors as antiinflammatory agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1995-11-07 | — | — | US | disclosed |