Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 5/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 5/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 5/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 5/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 5/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.38 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26783447 | 0.84 | BRAF (0.37) | ALDH1A1GAASMN1; SMN2LMNAKDR | |
| SCHEMBL23593208 | 0.80 | AR (0.52) | ARALDH1A1GAAL3MBTL1PSEN1 | |
| SCHEMBL23593325 | 0.80 | MAPT (0.38) | GAAL3MBTL1PSEN1PSEN2APH1B | |
| SCHEMBL26783549 | 0.79 | GRM5 (0.42) | ALDH1A1GAANPC1TP53RAB9A | |
| SCHEMBL23593416 | 0.78 | KDM4E (0.43) | GAAL3MBTL1NPC1RAB9A | |
| SCHEMBL24117943 | 0.77 | EPHX2 (0.43) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL24118250 | 0.76 | ALDH1A1 (0.54) | ALDH1A1RAB9ALMNA | |
| SCHEMBL23593328 | 0.76 | RHOC (0.45) | ALDH1A1L3MBTL1 | |
| SCHEMBL24118632 | 0.75 | GCGR (0.48) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL24118075 | 0.74 | USP36 (0.45) | ARSMN1; SMN2LMNATRPA1 |
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-3810116-B1 | NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-11-15 | — | — | EP | disclosed |