Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18394327 | 0.85 | ABCB11 (0.47) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL14982724 | 0.85 | KCNH3 (0.51) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL9015900 | 0.85 | KCNH3 (0.51) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL16712166 | 0.81 | F2 (0.48) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL18419346 | 0.81 | ABCB11 (0.44) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL18419338 | 0.81 | ABCB11 (0.44) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL18419361 | 0.81 | ABCB11 (0.44) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL18419356 | 0.81 | ABCB11 (0.44) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL3681897 | 0.81 | KCNH3 (0.51) | CYP3A4MAPTGAAKCNH3KDM4E | |
| SCHEMBL23928116 | 0.80 | ABCB11 (0.46) | ABCB11CYP3A4ADRA2BOPRD1SCN5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-113461550-B | Compound and intermediate thereof and application of compound and intermediate thereof in organic electroluminescent device | 阜阳欣奕华材料科技有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-113461549-B | Compound and intermediate thereof and application of compound and intermediate thereof in organic electroluminescent device | 阜阳欣奕华材料科技有限公司 | 2024-04-12 | — | — | CN | disclosed |