Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | ANPEP | P15144 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.44 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1116630 | 0.84 | ALDH1A1 (0.78) | ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2 | |
| SCHEMBL1934143 | 0.81 | CD38 (0.39) | HTTMAPT | |
| SCHEMBL5783791 | 0.79 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2 | |
| SCHEMBL3427969 | 0.79 | ALDH1A1 (0.70) | ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2 | |
| SCHEMBL3427705 | 0.79 | ALDH1A1 (0.74) | ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2 | |
| SCHEMBL12424958 | 0.78 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2 | |
| SCHEMBL19691213 | 0.78 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2 | |
| SCHEMBL19691212 | 0.78 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2 | |
| SCHEMBL10143960 | 0.77 | ALDH1A1 (0.77) | ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2 | |
| SCHEMBL4414127 | 0.77 | ALDH1A1 (0.77) | ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003068233-A1 | NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES | PFIZER LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |