Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | HPGD | P15428 | 3/20 | 0.72 |
| ▸ | LMNA | P02545 | 3/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.72 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.72 |
| ▸ | RELA | Q04206 | 1/20 | 0.72 |
| ▸ | CASP3 | P42574 | 5/20 | 0.71 |
| ▸ | SENP7 | Q9BQF6 | 4/20 | 0.71 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.71 |
| ▸ | TP53 | P04637 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 7/20 | 0.59 |
| ▸ | RAB9A | P51151 | 7/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL23748361 | 1.00 | KDM4E (0.72) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL2242768 | 0.90 | SMN1; SMN2 (0.63) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL10173054 | 0.86 | HDAC6 (0.64) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL10565801 | 0.84 | ESR1 (0.76) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL1734841 | 0.84 | NPC1 (0.76) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL11560753 | 0.84 | KDM4E (1.00) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL24881857 | 0.84 | SMN1; SMN2 (0.94) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL29622897 | 0.84 | NPC1 (0.76) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL9115618 | 0.84 | SMN1; SMN2 (0.72) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL30729297 | 0.83 | SMN1; SMN2 (1.00) | KDM4ESMN1; SMN2ALDH1A1HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-114436971-A | Di (4- (benzoxazol-2-yl) phenyl) methylamine derivative and preparation method thereof | 陕西维世诺新材料有限公司 | 2022-05-06 | — | — | CN | disclosed |