Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.75 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.75 |
| ▸ | NPC1 | O15118 | 4/20 | 0.75 |
| ▸ | RAB9A | P51151 | 4/20 | 0.75 |
| ▸ | HTT | P42858 | 2/20 | 0.75 |
| ▸ | GLA | P06280 | 1/20 | 0.75 |
| ▸ | CASP3 | P42574 | 1/20 | 0.75 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.75 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.75 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.75 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.49 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2646601 | 0.88 | MAPK1 (0.71) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL5606246 | 0.85 | KCNMA1 (0.64) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL11659267 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL30573735 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL5492605 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL1704376 | 0.81 | ALDH1A1 (0.71) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL12415752 | 0.80 | HTT (0.61) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL28719439 | 0.79 | NPC1 (0.47) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL18702740 | 0.79 | NR1H4 (0.56) | ALDH1A1MAPK1NPC1RAB9AHTT | |
| SCHEMBL5493964 | 0.77 | MAPK1 (0.68) | ALDH1A1MAPK1NPC1RAB9AHTT |
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-2023205344-A1 | SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2023-10-26 | — | — | WO | disclosed |