Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | HRH2 | P25021 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL72021 | 0.87 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL71343 | 0.87 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL71208 | 0.85 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL15252921 | 0.76 | GPR119 (0.48) | SMN1; SMN2HTTMEN1KMT2AHRH3 | |
| SCHEMBL16847349 | 0.75 | MEN1 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL15252920 | 0.75 | SIGMAR1 (0.33) | SIGMAR1 | |
| SCHEMBL15252912 | 0.74 | HRH3 (0.35) | CYP2C19HRH3 | |
| SCHEMBL15252903 | 0.74 | SIGMAR1 (0.38) | SIGMAR1 | |
| SCHEMBL6062459 | 0.73 | SMN1; SMN2 (0.70) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL73355 | 0.72 | ALDH1A1 (0.52) | SMN1; SMN2NPC1RAB9AHTTHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1961750-B1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO CO LTD (JP) | 2013-09-18 | — | — | EP | disclosed |
| EP-1961750-A1 | VLA-4 INHIBITORY DRUG | Daiichi Sankyo Company, Limited (JP) | 2008-08-27 | — | — | EP | disclosed |