Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KHK | P50053 | 7/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | ATP6V1B2 | P21281 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | TARBP2 | Q15633 | 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 | |
|---|---|---|---|---|
| SCHEMBL28005044 | 0.87 | ALDH1A1 (0.43) | ALDH1A1KDM4EBRD4HPGDKHK | |
| SCHEMBL11711995 | 0.81 | KDM4E (0.67) | ALDH1A1LMNAHTTKDM4EBRD4 | |
| SCHEMBL13576340 | 0.80 | KDM4E (0.69) | ALDH1A1LMNAHTTKDM4EBRD4 | |
| SCHEMBL29724104 | 0.80 | KDM4E (0.69) | ALDH1A1LMNAHTTKDM4EBRD4 | |
| SCHEMBL11713505 | 0.77 | LMNA (0.54) | ALDH1A1LMNAHTTKDM4EBRD4 | |
| SCHEMBL22795618 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HTTKDM4EBRD4KHK | |
| SCHEMBL3973297 | 0.71 | KDM4E (0.67) | ALDH1A1LMNAHTTKDM4EBRD4 | |
| SCHEMBL21591573 | 0.71 | MEN1 (0.57) | ALDH1A1LMNAHTTHPGDMAPT | |
| SCHEMBL14116369 | 0.70 | CASP1 (0.54) | ALDH1A1LMNAKDM4EHPGDTSHR | |
| SCHEMBL6779177 | 0.69 | KMT2A (0.60) | ALDH1A1LMNAHTTKDM4EBRD4 |
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-104447537-B | A kind of 3,3 '-methylene containing ethyl quinolinium ring-bis-fluoro quinolone derivatives and its preparation method and application | 河南大学 | 2016-08-24 | — | — | CN | disclosed |
| CN-104447537-A | 3,3'-methylene-bisfluoroquinolone derivative containing ethylquinoline rings as well as preparation method and application thereof | UNIV HENAN | 2015-03-25 | — | — | CN | disclosed |