Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6321054 | 0.70 | GPR3 (0.42) | HDAC4HDAC7HDAC5ALDH1A1GAA | |
| SCHEMBL28926036 | 0.69 | HDAC4 (0.39) | HDAC4HDAC7HDAC5ALDH1A1GAA | |
| SCHEMBL24150930 | 0.68 | LMNA (0.41) | HDAC4HDAC7HDAC5ALDH1A1GAA | |
| Iodide SCHEMBL27719240 | 0.68 | GPR3 (0.41) | HDAC4HDAC7HDAC5ALDH1A1GAA | |
| Iodide SCHEMBL29133261 | 0.66 | GAA (0.39) | HDAC4HDAC7HDAC5ALDH1A1GAA | |
| SCHEMBL8075462 | 0.62 | HTR2A (0.33) | — | |
| SCHEMBL14073997 | 0.62 | NOTUM (0.39) | HDAC4HDAC7HDAC5ALDH1A1GAA | |
| Sulfuric Acid SCHEMBL5413351 | 0.61 | KMT2A (0.48) | GAALMNAKDM4EMAPTMYC | |
| Sulfuric Acid SCHEMBL5406406 | 0.61 | KMT2A (0.48) | GAALMNAKDM4EMAPTMYC | |
| SCHEMBL11331455 | 0.61 | NOTUM (0.40) | ALDH1A1GAALMNAPAX8MCL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106496093-B | A kind of near-infrared fluorescent molecular probe and its synthetic method and application | 东南大学 | 2019-05-28 | — | — | CN | disclosed |
| CN-105111773-B | Amino cyanine fluorescent dye and preparation method and application thereof | 大连理工大学 | 2017-06-27 | — | — | CN | disclosed |
| CN-106496093-A | A kind of near-infrared fluorescent molecular probe and its synthetic method and application | 东南大学 | 2017-03-15 | — | — | CN | disclosed |