Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 4/20 | 0.49 |
| ▸ | PNMT | P11086 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL694663 | 1.00 | TAAR1 (0.63) | TAAR1CYP3A4LMNAACHEPNMT | |
| SCHEMBL1787452 | 0.89 | CYP3A4 (0.54) | TAAR1CYP3A4LMNAACHEMAOA | |
| SCHEMBL3156480 | 0.88 | SLC7A5 (0.59) | CYP3A4LMNAHTR2A | |
| SCHEMBL27864671 | 0.84 | TAAR1 (0.59) | TAAR1ACHEPNMTHTR2AHTR2C | |
| Bromide SCHEMBL11271654 | 0.83 | HTR2A (0.55) | TAAR1HTR2AHTR2CHTR2BSLC6A2 | |
| SCHEMBL19759404 | 0.83 | TAAR1 (0.71) | TAAR1PNMTHTR2AHTR2CHTR2B | |
| SCHEMBL9638163 | 0.82 | ACHE (0.50) | CYP3A4LMNAACHEPARP1 | |
| SCHEMBL2913614 | 0.81 | CYP3A4 (0.58) | CYP3A4LMNAACHEPARP1 | |
| SCHEMBL28506588 | 0.81 | SLC6A4 (0.59) | TAAR1LMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14478245 | 0.81 | SLC6A4 (0.59) | TAAR1LMNASLC6A2SLC6A4SLC6A3 |
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 |