Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.53 |
| ▸ | SLC2A1 | P11166 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL3933847 | 0.87 | CA2 (0.48) | CTSKCTSBCTSSNAMPTIDO1 | |
| SCHEMBL730856 | 0.86 | SIGMAR1 (0.50) | SIGMAR1CTSKCTSBCTSSCYP3A4 | |
| SCHEMBL730857 | 0.86 | SIGMAR1 (0.50) | SIGMAR1CTSKCTSBCTSSCYP3A4 | |
| SCHEMBL14977016 | 0.86 | SIGMAR1 (0.50) | SIGMAR1CTSKCTSBCTSSCYP3A4 | |
| SCHEMBL731698 | 0.84 | CA2 (0.51) | CTSKCTSBCTSSNAMPTIDO1 | |
| SCHEMBL6414451 | 0.84 | CA2 (0.51) | CTSKCTSBCTSSNAMPTIDO1 | |
| SCHEMBL731697 | 0.84 | CA2 (0.51) | CTSKCTSBCTSSNAMPTIDO1 | |
| SCHEMBL572740 | 0.83 | IDO1 (0.60) | SIGMAR1CTSKCTSSCYP3A4CYP1A2 | |
| SCHEMBL693222 | 0.80 | CTSK (0.44) | SIGMAR1CTSKCTSBCTSSNAMPT | |
| SCHEMBL16798316 | 0.79 | NQO2 (0.50) | SIGMAR1CTSKCYP3A4NAMPTIDO1 |
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-2421849-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Theravance, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123766-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE, INC. (US) | 2010-10-28 | — | — | WO | disclosed |