Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22355347 | 0.88 | SIGMAR1 (0.54) | SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL22355323 | 0.88 | SIGMAR1 (0.54) | SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL22014091 | 0.87 | SIGMAR1 (0.64) | SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2 | |
| SCHEMBL22014479 | 0.80 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2 | |
| SCHEMBL22014097 | 0.79 | HRH3 (0.48) | SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2 | |
| SCHEMBL22014095 | 0.79 | FAAH (0.55) | SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2 | |
| SCHEMBL22014483 | 0.79 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1SMN1; SMN2HDAC4KCNH2 | |
| SCHEMBL22014096 | 0.76 | SIGMAR1 (0.49) | SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL576379 | 0.75 | SIGMAR1 (0.86) | SIGMAR1MC4RLMNAKMT2ADRD4 | |
| SCHEMBL1044952 | 0.75 | SIGMAR1 (0.86) | SIGMAR1MC4RLMNAKMT2ADRD4 |
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-3377504-B1 | CYCLAM BASED COMPOUNDS, THEIR CONJUGATES, CO-ORDINATION COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, METHOD OF PREPARATION AND USE THEREOF | UNIV KARLOVA (CZ) | 2020-08-19 | — | — | EP | disclosed |