Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 2/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KMO | O15229 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14940314 | 1.00 | MET (0.38) | METMIFALDH1A1NPSR1KMO | |
| SCHEMBL15822510 | 0.88 | MET (0.36) | METMIFALDH1A1NPSR1KMO | |
| SCHEMBL15822508 | 0.88 | MET (0.36) | METMIFALDH1A1NPSR1KMO | |
| SCHEMBL14940681 | 0.85 | ALDH1A1 (0.41) | ALDH1A1NPSR1KMOMAPTAPEX1 | |
| SCHEMBL14940683 | 0.85 | ALDH1A1 (0.41) | ALDH1A1NPSR1KMOMAPTAPEX1 | |
| SCHEMBL15823048 | 0.85 | MIF (0.40) | MIFALDH1A1NPSR1MAPTHPGD | |
| SCHEMBL15823046 | 0.85 | MIF (0.40) | MIFALDH1A1NPSR1MAPTHPGD | |
| SCHEMBL16145821 | 0.79 | MAPT (0.40) | METALDH1A1NPSR1MAPTHPGD | |
| SCHEMBL16145819 | 0.79 | MAPT (0.40) | METALDH1A1NPSR1MAPTHPGD | |
| SCHEMBL15823837 | 0.71 | PIK3CB (0.37) | MIFALDH1A1MAPTSIGMAR1MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2776425-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall, S.A. (ES) | 2014-09-17 | — | — | EP | disclosed |
| EP-2776426-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | Almirall, S.A. (ES) | 2014-09-17 | — | — | EP | disclosed |
| WO-2013068554-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2013-05-16 | — | — | WO | disclosed |
| WO-2013068552-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2013-05-16 | — | — | WO | disclosed |