Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL6944904 | 0.79 | CYP1A2 (0.51) | CYP1A2CYP2C9HIF1ACYP2D6CYP2C19 | |
| SCHEMBL24203000 | 0.78 | CYP1A2 (0.38) | CYP1A2CYP2C9HIF1ACYP2D6CYP2C19 | |
| SCHEMBL6945155 | 0.69 | GFRA3 (0.41) | CYP1A2CYP2D6CYP2C19MEN1MAPT | |
| SCHEMBL30585507 | 0.66 | ANPEP (0.41) | CYP1A2HIF1ACYP2C19HTTSMN1; SMN2 | |
| SCHEMBL1155357 | 0.66 | ANPEP (0.41) | CYP1A2HIF1ACYP2C19HTTSMN1; SMN2 | |
| SCHEMBL5999291 | 0.66 | ALDH1A1 (0.40) | CYP1A2CYP2C9HIF1ACYP2D6CYP2C19 | |
| SCHEMBL6986089 | 0.65 | HSD17B10 (0.42) | CYP1A2CYP2C9HIF1ACYP2D6CYP2C19 | |
| SCHEMBL8361830 | 0.63 | ALDH1A1 (0.48) | CYP1A2CYP2C9HIF1ACYP2D6CYP2C19 | |
| SCHEMBL29511774 | 0.63 | PTPN22 (0.39) | CYP1A2CYP2C9HIF1ACYP2C19MEN1 | |
| SCHEMBL3417362 | 0.62 | SRD5A1 (0.48) | CYP2C9HIF1ACYP2D6CYP2C19MEN1 |
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-3553049-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME | LG Chem, Ltd. (KR) | 2019-10-16 | — | — | EP | disclosed |