Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | JAK1 | P23458 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 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 | |
|---|---|---|---|---|
| SCHEMBL1434918 | 1.00 | SMN1; SMN2 (0.46) | SMN1; SMN2CYP2C19NPC1RAB9AJAK2 | |
| SCHEMBL4564213 | 0.80 | BCL9 (0.52) | SMN1; SMN2CYP2C19NPC1RAB9AJAK2 | |
| SCHEMBL1435091 | 0.80 | PDE4B (0.47) | KMT2ADPP4PDE4BUSP30 | |
| SCHEMBL19404905 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP2C19NPC1RAB9AJAK2 | |
| SCHEMBL16653836 | 0.78 | SMN1; SMN2 (0.58) | SMN1; SMN2CYP2C19NPC1RAB9AJAK2 | |
| SCHEMBL14428334 | 0.78 | SMN1; SMN2 (0.58) | SMN1; SMN2CYP2C19NPC1RAB9AJAK2 | |
| SCHEMBL15379354 | 0.78 | SMN1; SMN2 (0.61) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL654999 | 0.76 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AJAK2 | |
| SCHEMBL764193 | 0.76 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AJAK2 | |
| SCHEMBL12791106 | 0.76 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AJAK2 |
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-1804919-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006047196-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-05-04 | — | — | WO | disclosed |