Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | WNT1 | P04628 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | ABL2 | P42684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25288553 | 0.84 | THRB (0.43) | SMN1; SMN2ALDH1A1KDM4EMAPTGSK3B | |
| SCHEMBL5482515 | 0.82 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL29391873 | 0.82 | ALDH1A1 (0.37) | SMN1; SMN2ALDH1A1KMT2AKDM4E | |
| SCHEMBL12336352 | 0.81 | HSD17B10 (0.44) | SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL2663389 | 0.81 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL23291308 | 0.81 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1KMT2AMEN1WNT1 | |
| SCHEMBL1965586 | 0.81 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL11927511 | 0.81 | ALDH1A1 (0.36) | SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL1133592 | 0.80 | — | — | |
| SCHEMBL12379861 | 0.80 | TSHR (0.46) | SMN1; SMN2ALDH1A1KDM4ENPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488532-B1 | ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2018-05-09 | — | — | EP | disclosed |
| WO-2004024728-A2 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-03-25 | — | — | WO | disclosed |