Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | PPID | Q08752 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27284977 | 0.98 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL27395800 | 0.98 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL8976118 | 0.84 | ALDH1A1 (0.53) | HTTHRH3 | |
| SCHEMBL8976117 | 0.84 | ALDH1A1 (0.53) | HTTHRH3 | |
| SCHEMBL8781820 | 0.83 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL8781621 | 0.80 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL8459145 | 0.79 | HTT (0.56) | HTTDPP7BCHEACHEBACE1 | |
| SCHEMBL1626959 | 0.78 | KMT2A (0.53) | HTT | |
| SCHEMBL8453440 | 0.77 | HTT (0.48) | HTTDPP7HRH3 | |
| SCHEMBL8111442 | 0.77 | CHRNB2 (0.53) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1088917-A | Substituted benzylamino nitrogen-containing non-aromatic heterocyclic compounds | PFIZER (US) | 1994-07-06 | — | — | CN | claimed |
| CN-110464724-A | The method for treating autoimmunity, breathing and/or inflammatory conditions by sucking N-oxide of roflumilast | INCOZEN THERAPEUTICS PVT LTD | 2019-11-19 | — | — | CN | disclosed |
| CN-110403922-A | The method for treating autoimmunity, breathing and/or inflammatory conditions by sucking N-oxide of roflumilast | INCOZEN THERAPEUTICS PVT LTD | 2019-11-05 | — | — | CN | disclosed |