Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.37 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Amelubant SCHEMBL1891672 | 0.90 | MAOB (0.45) | MAOBMRGPRX4GRM5TP53PKM | |
| Amelubant SCHEMBL13696755 | 0.90 | MAOB (0.45) | MAOBMRGPRX4GRM5TP53PKM | |
| SCHEMBL8378355 | 0.85 | MAOB (0.47) | MAOBMRGPRX4TP53PKMNFKB1 | |
| SCHEMBL8378353 | 0.85 | MAOB (0.47) | MAOBMRGPRX4TP53PKMNFKB1 | |
| Amelubant SCHEMBL1891670 | 0.72 | GRM5 (0.45) | MAOBMRGPRX4GRM5TP53PKM | |
| SCHEMBL6354816 | 0.72 | PTPRC (0.46) | MAOBFFAR1MRGPRX4PKMPARP10 | |
| Amelubant SCHEMBL29359085 | 0.72 | GRM5 (0.45) | MAOBMRGPRX4GRM5TP53PKM | |
| SCHEMBL4999957 | 0.70 | F2 (0.72) | — | |
| SCHEMBL31506335 | 0.70 | F2 (0.72) | — | |
| SCHEMBL13140115 | 0.70 | F2 (0.53) | MAOBMRGPRX4GRM5PARP10PARP15 |
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 |
|---|---|---|---|---|---|---|---|
| US-20150164916-A1 | ROFLUMILAST COMPOSITIONS FOR THE TREATMENT OF COPD | FOREST LAB HOLDINGS LTD (BM) | 2015-06-18 | — | — | US | disclosed |
| US-20130172303-A1 | ROFLUMILAST COMPOSITIONS FOR THE TREATMENT OF COPD | FOREST LABORATORIES HOLDINGS LTD. (BM) | 2013-07-04 | — | — | US | disclosed |