Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9313528 | 0.91 | ALDH1A1 (0.64) | ALDH1A1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16213688 | 0.87 | ALDH1A1 (0.53) | ALDH1A1POLBNPC1RAB9AHDAC3 | |
| SCHEMBL4785110 | 0.82 | TDP1 (0.61) | ALDH1A1POLBNPC1RAB9AEPHX2 | |
| SCHEMBL9313118 | 0.79 | SMN1; SMN2 (0.62) | ALDH1A1TDP1SMN1; SMN2L3MBTL1 | |
| SCHEMBL10788686 | 0.79 | L3MBTL1 (0.61) | ALDH1A1POLBNPC1RAB9AEPHX2 | |
| SCHEMBL7445362 | 0.79 | HPGD (0.64) | ALDH1A1POLBNPC1RAB9AEPHX2 | |
| SCHEMBL29798859 | 0.76 | NPC1 (0.58) | ALDH1A1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13450231 | 0.76 | EPHX2 (0.58) | ALDH1A1POLBNPC1RAB9AEPHX2 | |
| SCHEMBL10788676 | 0.75 | KDM4E (0.58) | ALDH1A1NPC1RAB9AEPHX2HDAC3 | |
| SCHEMBL16213672 | 0.73 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD |
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-2718280-B1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMA SPA (IT) | 2015-09-16 | — | — | EP | disclosed |
| US-8877774-B2 | Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity | CHIESI FARMACEUTICI S.P.A. (IT) | 2014-11-04 | — | — | US | disclosed |
| US-8877774-B2 | Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity | CHIESI FARMACEUTICI S.P.A. (IT) | 2014-11-04 | — | — | US | disclosed |