Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17544384 | 0.87 | KDM4E (0.58) | KDM4ENPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL29680845 | 0.87 | KDM4E (0.58) | KDM4ENPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL17544431 | 0.86 | TSHR (0.57) | KDM4ENPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL30401006 | 0.86 | TSHR (0.57) | KDM4ENPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL17544543 | 0.85 | KDM4E (0.56) | KDM4ENPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL29681157 | 0.85 | KDM4E (0.56) | KDM4ENPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL17544097 | 0.84 | MAPT (0.66) | KDM4ENPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL30402965 | 0.84 | MAPT (0.66) | KDM4ENPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL4062301 | 0.82 | NPC1 (0.66) | KDM4ENPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL2244071 | 0.82 | HDAC3 (0.61) | KDM4ENPC1RAB9ACYP1A2CYP2C19 |
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-2023109745-A1 | SMALL-MOLECULE PROBE FOR IMAGING OF α-SYNUCLEIN AGGREGATE | 复旦大学 | 2023-06-22 | — | — | WO | disclosed |