Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL23840290 | 0.80 | PDE10A (0.45) | ALDH1A1PDE10ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL2188830 | 0.74 | CYP11B1 (0.48) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL26084111 | 0.74 | PDE10A (0.40) | PDE10ASMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL26084148 | 0.72 | FGFR1 (0.44) | ALDH1A1MAPK1POLB | |
| SCHEMBL14463524 | 0.72 | MEN1 (0.44) | ALDH1A1CASP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL19968134 | 0.71 | CYP17A1 (0.57) | SMN1; SMN2NPC1RAB9ALMNACYP11B1 | |
| SCHEMBL5971617 | 0.67 | CYP11B1 (0.40) | PDE10ASMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL17692258 | 0.67 | KEAP1 (0.44) | ALDH1A1TSHRMAPK1HSD17B10L3MBTL1 | |
| SCHEMBL15673011 | 0.66 | ALDH1A1 (0.59) | ALDH1A1TSHRMAPK1HSD17B10L3MBTL1 | |
| SCHEMBL30117919 | 0.66 | KDM4E (0.45) | PDE10ASMN1; SMN2NPC1RAB9ALMNA |
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-2022002772-A1 | HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-01-06 | — | — | WO | disclosed |