Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25870422 | 0.86 | EPHX2 (0.48) | ITGB3ITGA2BEPHX2ALDH1A1KMT2A | |
| SCHEMBL25870704 | 0.84 | POLB (0.45) | PTPN1ITGB3ITGA2BPOLBNPSR1 | |
| SCHEMBL8375991 | 0.79 | KEAP1 (0.44) | KMT2A | |
| SCHEMBL10199651 | 0.78 | KMT2A (0.45) | EPHX2TDP1KMT2ANPC1RAB9A | |
| SCHEMBL19359830 | 0.78 | PTPN1 (0.44) | PTPN1ITGB3ITGA2BPOLBNPSR1 | |
| SCHEMBL7839569 | 0.78 | CHRM5 (0.40) | ALDH1A1KMT2A | |
| SCHEMBL25870429 | 0.77 | ITGB3 (0.39) | ITGB3ITGA2BEPHX2KMT2AMEN1 | |
| SCHEMBL864304 | 0.77 | POLB (0.50) | PTPN1POLBNPSR1L3MBTL1EPHX2 | |
| SCHEMBL12086276 | 0.77 | POLB (0.54) | PTPN1POLBNPSR1L3MBTL1EPHX2 | |
| SCHEMBL7882899 | 0.76 | KMT2A (0.53) | L3MBTL1EPHX2TDP1KMT2AGAA |
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 |