Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 5/20 | 0.42 |
| ▸ | CTSB | P07858 | 3/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6414451 | 0.80 | CA2 (0.51) | CTSKCA2IDO1CTSSCTSB | |
| SCHEMBL731698 | 0.80 | CA2 (0.51) | CTSKCA2IDO1CTSSCTSB | |
| SCHEMBL731697 | 0.80 | CA2 (0.51) | CTSKCA2IDO1CTSSCTSB | |
| SCHEMBL693223 | 0.80 | SIGMAR1 (0.53) | CTSKCA2IDO1CTSSCTSB | |
| SCHEMBL3933847 | 0.78 | CA2 (0.48) | CTSKCA2IDO1CTSSCTSB | |
| SCHEMBL730857 | 0.77 | SIGMAR1 (0.50) | CTSKCA2IDO1CTSSCTSB | |
| SCHEMBL14977016 | 0.77 | SIGMAR1 (0.50) | CTSKCA2IDO1CTSSCTSB | |
| SCHEMBL730856 | 0.77 | SIGMAR1 (0.50) | CTSKCA2IDO1CTSSCTSB | |
| SCHEMBL572740 | 0.76 | IDO1 (0.60) | CTSKCA2IDO1CTSSNAMPT | |
| SCHEMBL16798316 | 0.75 | NQO2 (0.50) | CTSKCA2IDO1MTNR1AMTNR1B |
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 |