Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL25041963 | 0.69 | ACHE (0.46) | PARP1ALDH1A1LMNA | |
| SCHEMBL16363551 | 0.62 | PARP1 (1.00) | PARP1 | |
| SCHEMBL29218667 | 0.61 | KDM4E (0.44) | HSD17B10CYP2C19ALDH1A1LMNAUSP2 | |
| SCHEMBL4123122 | 0.61 | ADRA1A (0.47) | CYP3A4MEN1KMT2AHSD17B10CYP2D6 | |
| SCHEMBL12761286 | 0.61 | HDAC3 (0.51) | CYP3A4MEN1KMT2A | |
| SCHEMBL19134111 | 0.61 | FFAR4 (0.61) | CYP3A4MEN1KMT2AFFAR4 | |
| SCHEMBL29218740 | 0.61 | HDAC6 (0.40) | PARP1CYP3A4ALDH1A1LMNA | |
| SCHEMBL25042088 | 0.61 | HDAC6 (0.40) | PARP1CYP3A4ALDH1A1LMNA | |
| SCHEMBL21674213 | 0.59 | PTPN11 (0.43) | CYP3A4MEN1KMT2A | |
| SCHEMBL24126695 | 0.58 | OGA (0.51) | PARP1ALDH1A1LMNA |
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-2023116920-A1 | PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 杭州多域生物技术有限公司 | 2023-06-29 | — | — | WO | disclosed |