Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GUSB | P08236 | 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 | |
|---|---|---|---|---|
| SCHEMBL999459 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL29006429 | 0.72 | KDM4E (0.77) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL28825121 | 0.72 | PKM (0.45) | PKMALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL9348700 | 0.71 | PKM (0.65) | PKMALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL9638727 | 0.68 | KDM4E (0.42) | PKMALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL2905398 | 0.67 | PKM (0.59) | PKMALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL28127827 | 0.67 | PKM (0.59) | PKMALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL890810 | 0.67 | PKM (1.00) | PKMALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL29811018 | 0.66 | EGFR (0.54) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL14112949 | 0.66 | EGFR (0.54) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA |
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-105541748-A | Piperazine-contained 1,3,4-oxadiazole Mannich base compound, and preparation and application thereof | UNIV NANKAI | 2016-05-04 | — | — | CN | disclosed |
| CN-105330651-A | 1,2,4-Triazolethione derivative containing (hetero)aryl group and piperazine, and preparation method and application thereof | UNIV NANKAI | 2016-02-17 | — | — | CN | disclosed |