Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1004 | 0.80 | ALDH1A1 (0.38) | ALDH1A1RAB9ADRD2 | |
| SCHEMBL30799099 | 0.76 | LMNA (0.42) | SIGMAR1CYP19A1POLBLMNAALDH1A1 | |
| SCHEMBL16334152 | 0.66 | SMN1; SMN2 (0.35) | LMNAALDH1A1L3MBTL1RAB9A | |
| SCHEMBL8376402 | 0.64 | SIGMAR1 (0.43) | SIGMAR1CYP19A1POLBLMNAALDH1A1 | |
| SCHEMBL16333836 | 0.63 | SLC9A1 (0.37) | POLBLMNAALDH1A1TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL5001191 | 0.63 | SIGMAR1 (0.40) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL16226080 | 0.63 | SIGMAR1 (0.78) | SIGMAR1POLBLMNAALDH1A1FAAH | |
| SCHEMBL15993885 | 0.62 | GAA (0.46) | SIGMAR1POLBLMNAALDH1A1MGLL | |
| SCHEMBL9720752 | 0.62 | DRD4 (0.77) | SIGMAR1POLBLMNAMGLLDRD4 | |
| SCHEMBL2395932 | 0.61 | DRD4 (0.67) | SIGMAR1DRD4DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110156708-B | Substituted heterocyclic compound containing acylhydrazone skeleton and preparation method and application thereof | 中国药科大学 | 2022-08-09 | — | — | CN | disclosed |