Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8972279 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MAPTACHEBCHESOAT1 | |
| SCHEMBL30800856 | 0.75 | MAPT (0.46) | ALDH1A1MAPTACHEBCHELMNA | |
| SCHEMBL27717693 | 0.73 | CYP2A6 (0.48) | CNR2HTR2AHTR2CHTR2B | |
| SCHEMBL181559 | 0.73 | MAPT (0.52) | ALDH1A1MAPTACHELMNACYP1A2 | |
| SCHEMBL6849939 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MAPTLMNAAPPCYP1A2 | |
| SCHEMBL28195008 | 0.73 | TP53 (0.41) | ALDH1A1MAPTLMNACYP1A2MAPK1 | |
| SCHEMBL8087379 | 0.71 | ALDH1A1 (0.67) | ALDH1A1APAF1MAPTBCHEKDM4E | |
| SCHEMBL27613209 | 0.71 | ALDH1A1 (0.46) | ALDH1A1MAPTHDAC3HDAC1HDAC2 | |
| SCHEMBL49577 | 0.71 | ALDH1A1 (0.73) | ALDH1A1APAF1MAPTBCHEKDM4E | |
| SCHEMBL20640485 | 0.70 | PNMT (0.40) | ALDH1A1APAF1CNR2MAPTBACE1 |
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-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | disclosed |