Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | PDE8B | O95263 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18977652 | 0.90 | TSHR (0.42) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL13211439 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAACHRM2CHRM4 | |
| SCHEMBL18977434 | 0.73 | — | — | |
| SCHEMBL24799993 | 0.72 | ALDH1A1 (0.52) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL25241729 | 0.72 | GAA (0.47) | ALDH1A1KDM4EGAAKMT2AMEN1 | |
| SCHEMBL17803767 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KDM4EGAACHRM2CHRM4 | |
| SCHEMBL12251792 | 0.71 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAACHRM2CHRM4 | |
| SCHEMBL22347945 | 0.69 | NR1H4 (0.45) | ALDH1A1KDM4EKMT2AMEN1NPC1 | |
| SCHEMBL16364797 | 0.68 | OPRL1 (0.39) | ALDH1A1KDM4EGAACHRM2CHRM4 | |
| SCHEMBL2655815 | 0.67 | OPRL1 (0.41) | ALDH1A1KDM4EGAACHRM2CHRM4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3684357-B1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME LLC (US) | 2022-12-28 | — | — | EP | disclosed |
| EP-2703392-B1 | 5-MEMBERED RING AROMATIC HETEROCYCLIC DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY | SHIONOGI & CO (JP) | 2017-06-14 | — | — | EP | disclosed |