Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15822991 | 0.97 | FFAR1 (0.48) | FFAR1PPARGS1PR1S1PR3ITGB3 | |
| SCHEMBL15822453 | 0.91 | SIRT2 (0.45) | FFAR1PPARGBACE1MAOAMAOB | |
| SCHEMBL15822497 | 0.83 | BACE1 (0.44) | BACE1MAOA | |
| SCHEMBL100205 | 0.81 | PDK2 (0.44) | PPARGS1PR1S1PR3ITGB3ITGA2B | |
| SCHEMBL15824362 | 0.79 | LMNA (0.45) | S1PR1MAPT | |
| SCHEMBL15822461 | 0.77 | PPARA (0.41) | FFAR1PPARGS1PR1S1PR3ITGB3 | |
| SCHEMBL15822464 | 0.77 | PPARA (0.41) | FFAR1PPARGS1PR1S1PR3ITGB3 | |
| SCHEMBL15824687 | 0.75 | KMT2A (0.46) | NPC1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15823506 | 0.75 | PNLIP (0.46) | NPC1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL13886620 | 0.75 | HTR2A (0.68) | FFAR1S1PR1S1PR3LTA4HNPC1 |
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-2934594-B1 | CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . | ALMIRALL SA (ES) | 2019-09-04 | — | — | EP | disclosed |
| EP-2934594-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | Almirall, S.A. (ES) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014095920-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | ALMIRALL, S.A. (ES) | 2014-06-26 | — | — | WO | disclosed |