Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28137577 | 0.89 | CNR1 (0.43) | ALDH1A1HPGDSMN1; SMN2CNR1MAPT | |
| SCHEMBL9444404 | 0.69 | BRD4 (0.47) | ALDH1A1MAPTKDM4EBRD4ESR1 | |
| SCHEMBL9206196 | 0.68 | CYP2C19 (0.40) | ALDH1A1HPGDSMN1; SMN2CNR1MAPT | |
| SCHEMBL28012574 | 0.67 | BRD4 (0.32) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL9618398 | 0.66 | BRD4 (0.38) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL27984061 | 0.65 | NPC1 (0.41) | ALDH1A1HPGDSMN1; SMN2CNR1MAPT | |
| SCHEMBL27960327 | 0.65 | ESR1 (0.44) | ALDH1A1HPGDSMN1; SMN2MAPTKDM4E | |
| SCHEMBL10364019 | 0.65 | BRD4 (0.44) | ALDH1A1MAPTKDM4EKMT2ACYP17A1 | |
| SCHEMBL10529530 | 0.65 | ESR1 (0.41) | HPGDSMN1; SMN2KDM4EKMT2ACYP17A1 | |
| SCHEMBL27217012 | 0.64 | ESR1 (0.42) | ALDH1A1MAPTKDM4EKMT2ABRD4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085520-B | 3 (2 nitro, 1 phenethyl) 2 (2 phenylimidazoles simultaneously [1,2 α] pyridine) class compound | 郑州大学 | 2017-03-29 | — | — | CN | disclosed |
| CN-105085520-A | 3-(2-nitro-1-phenylethyl)-2-(2-phenyl-imidazo[1,2-alpha] pyridine) compound | UNIV ZHENGZHOU | 2015-11-25 | — | — | CN | disclosed |