Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19903214 | 0.95 | HPGD (0.39) | MAOBMAOACYP2A6HPGDMEN1 | |
| SCHEMBL19903237 | 0.93 | HPGD (0.38) | MAOBMAOACYP2A6HPGDMEN1 | |
| SCHEMBL22643093 | 0.81 | ALDH1A1 (0.47) | MAOBMAOAHPGDKDM4EPOLB | |
| SCHEMBL20108451 | 0.81 | KMT2A (0.49) | HPGDMEN1KMT2AKDM4EPOLB | |
| SCHEMBL20108604 | 0.81 | KDM4E (0.47) | MAOBMAOACYP2A6MEN1KMT2A | |
| SCHEMBL19903375 | 0.77 | NPSR1 (0.34) | HPGDMEN1KMT2AKDM4EGAA | |
| SCHEMBL20108497 | 0.75 | HSD11B1 (0.37) | MAOBMAOAMEN1KMT2AALDH1A1 | |
| SCHEMBL15721254 | 0.73 | MAPK1 (0.44) | MEN1KMT2AKDM4EGAAL3MBTL1 | |
| SCHEMBL18583232 | 0.73 | HPGD (0.43) | HPGDMEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL19274519 | 0.73 | ALDH1A1 (0.32) | ALDH1A1MGLL |
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 |
|---|---|---|---|---|---|---|---|
| EP-2976339-B1 | GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-06-27 | — | — | EP | disclosed |