Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24687218 | 1.00 | KDM4E (0.53) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL24356804 | 0.96 | SMN1; SMN2 (0.53) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL26453123 | 0.96 | SMN1; SMN2 (0.53) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL18215052 | 0.94 | KDM4E (0.54) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL24357481 | 0.94 | ESR1 (0.50) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL30417008 | 0.94 | ESR1 (0.50) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL21862890 | 0.93 | KDM4E (0.50) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL17451057 | 0.88 | KDM4E (0.47) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL23633521 | 0.88 | MEN1 (0.59) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL22186311 | 0.88 | MEN1 (0.59) | KDM4ESMN1; SMN2MEN1ALDH1A1KMT2A |
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-2023134228-A1 | NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS | 陕西莱特光电材料股份有限公司 | 2023-07-20 | — | — | WO | disclosed |