Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PDE8B | O95263 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL21685477 | 0.85 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL21684878 | 0.81 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL21685038 | 0.81 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL28578067 | 0.80 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL27920376 | 0.79 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL21703448 | 0.79 | MAP4K1 (0.43) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL21684666 | 0.79 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL21703018 | 0.78 | MAP4K1 (0.51) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL21684983 | 0.77 | MAP4K1 (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2TSHR | |
| SCHEMBL14964663 | 0.77 | CYP2C19 (0.45) | NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2 |
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-4219460-A1 | TRANSGLUTAMINASE 2 (TG2) INHIBITORS | Sitari Pharma, Inc. (US) | 2023-08-02 | — | — | EP | disclosed |