Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.49 |
| ▸ | BACE1 | P56817 | 3/20 | 0.49 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | CCR8 | P51685 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13202585 | 0.85 | ACHE (0.67) | ACHEBACE1BCHEALDH1A1HTT | |
| SCHEMBL8155639 | 0.84 | SIGMAR1 (0.63) | ACHEBACE1BCHEALDH1A1SIGMAR1 | |
| SCHEMBL13202576 | 0.84 | SIGMAR1 (0.62) | ALDH1A1GAAHTTCXCR4SIGMAR1 | |
| SCHEMBL28365126 | 0.84 | MBTD1 (0.62) | ACHEBACE1BCHESIGMAR1KMT2A | |
| SCHEMBL2541116 | 0.83 | SIGMAR1 (0.65) | ACHEBACE1BCHEALDH1A1LMNA | |
| SCHEMBL12398288 | 0.83 | ACHE (0.67) | ACHEALDH1A1LMNAPRMT6 | |
| SCHEMBL360075 | 0.82 | ACHE (0.68) | ACHEBACE1BCHEALDH1A1GAA | |
| SCHEMBL13932970 | 0.81 | ALDH1A1 (0.51) | ACHEALDH1A1GAAHTTCXCR4 | |
| SCHEMBL17753017 | 0.81 | SIGMAR1 (0.65) | CCR8ALDH1A1GAASIGMAR1KMT2A | |
| Hydrochloric Acid SCHEMBL5862090 | 0.81 | ACHE (0.66) | ACHEBACE1BCHEALDH1A1GAA |
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-1632483-B1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMA INC (US) | 2008-10-29 | — | — | EP | disclosed |