Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 3/20 | 0.57 |
| ▸ | BACE1 | P56817 | 3/20 | 0.57 |
| ▸ | BCHE | P06276 | 2/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3325622 | 0.87 | ALDH1A1 (0.68) | KCNH2ALDH1A1KMT2AMAPK1ACHE | |
| Bromide SCHEMBL8824061 | 0.85 | ALDH1A1 (0.67) | KCNH2ALDH1A1KMT2AMAPK1ACHE | |
| SCHEMBL4133414 | 0.82 | SIGMAR1 (0.67) | KMT2AACHEBACE1BCHESIGMAR1 | |
| SCHEMBL5844682 | 0.81 | BACE1 (0.61) | KCNH2ALDH1A1KMT2AMAPK1ACHE | |
| SCHEMBL30447325 | 0.81 | GAA (0.63) | KCNH2ALDH1A1KMT2AMEN1 | |
| SCHEMBL22634135 | 0.79 | SIGMAR1 (0.63) | KMT2AACHEBACE1BCHESIGMAR1 | |
| SCHEMBL5501378 | 0.78 | KMT2A (0.57) | KCNH2ALDH1A1KMT2AMAPK1ACHE | |
| SCHEMBL8553564 | 0.78 | DRD4 (0.70) | KCNH2KMT2AMAPK1ACHESIGMAR1 | |
| SCHEMBL117304 | 0.78 | ACHE (0.68) | ALDH1A1KMT2AMAPK1ACHEBACE1 | |
| SCHEMBL28760518 | 0.78 | ACHE (0.68) | ALDH1A1KMT2AMAPK1ACHEBACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017219087-A1 | NEW THIOSEMICARBAZONE COMPOUNDS AND ANALOGUES THEREOF | THE UNIVERSITY OF SYDNEY (AU) | 2017-12-28 | — | — | WO | disclosed |