Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 8/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 7/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 4/20 | 0.34 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723570 | 0.85 | CHRM3 (0.39) | CHRM3ADRB2 | |
| SCHEMBL6022022 | 0.78 | CHRM2 (0.39) | CHRM3ADRB2ACHEBCHE | |
| SCHEMBL6022322 | 0.78 | ADRB2 (0.35) | CHRM3ADRB2ACHEBCHE | |
| SCHEMBL4691523 | 0.77 | TPSAB1 (0.36) | HDAC2HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL6016864 | 0.77 | BCHE (0.37) | ACHEBCHE | |
| SCHEMBL6021982 | 0.76 | ALDH1A1 (0.39) | CHRM3ADRB2HDAC2HDAC8HDAC6 | |
| SCHEMBL6017445 | 0.75 | CHRM2 (0.39) | CHRM3 | |
| SCHEMBL4691401 | 0.75 | HTR1A (0.41) | — | |
| SCHEMBL18229059 | 0.74 | CHRM3 (0.43) | CHRM3ADRB2ACHEBCHE | |
| SCHEMBL6028157 | 0.74 | ACHE (0.39) | CHRM3ADRB2HDAC2HDAC8HDAC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2621917-A1 | CRYSTALLINE OXALATE SALTS OF A DIAMIDE COMPOUND | Theravance, Inc. (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012044825-A1 | CRYSTALLINE OXALATE SALTS OF A DIAMIDE COMPOUND | THERAVANCE, INC. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2010123766-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE, INC. (US) | 2010-10-28 | — | — | WO | disclosed |