Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 4/20 | 0.35 |
| ▸ | CCKAR | P32238 | 3/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28939724 | 1.00 | BRD4 (0.43) | BRD4EGFRCHRNA7CYP3A4CYP2C9 | |
| SCHEMBL28940152 | 0.85 | MAPT (0.36) | BRD4EGFRALOX15ALDH1A1 | |
| SCHEMBL28940153 | 0.85 | MAPT (0.36) | BRD4EGFRALOX15ALDH1A1 | |
| SCHEMBL20177778 | 0.66 | KDM4E (0.36) | BRD4CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL28940083 | 0.64 | ALDH1A1 (0.37) | EGFRTSHRMAPK1CCKBRGABRP | |
| SCHEMBL30095518 | 0.63 | GABRA1 (0.39) | BRD4CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL28940149 | 0.63 | GABRA1 (0.39) | BRD4CYP3A4CYP2C9CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL6421986 | 0.61 | HTR2C (0.49) | CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL20177522 | 0.61 | BRD4 (0.41) | BRD4CHRNA7CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20177851 | 0.60 | BRD4 (0.54) | BRD4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-115637454-A | Synthesis method of tetrahydroimidazo [1,5-a ] quinoxaline-4 (5H) -one derivative | 南华大学 | 2023-01-24 | — | — | CN | disclosed |