Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.59 |
| ▸ | GLA | P06280 | 5/20 | 0.59 |
| ▸ | GAA | P10253 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28687784 | 0.81 | KDM4E (0.59) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL28678190 | 0.81 | KDM4E (0.59) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL8968402 | 0.81 | ALDH1A1 (0.44) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL11247053 | 0.78 | KDM4E (0.59) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL2427657 | 0.75 | KDM4E (1.00) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30228536 | 0.73 | KDM4E (0.96) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL9770762 | 0.73 | CYP1A2 (0.43) | KDM4EALDH1A1GAASMN1; SMN2MEN1 | |
| SCHEMBL11549158 | 0.71 | KDM4E (0.74) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL28352201 | 0.71 | KDM4E (0.67) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL11357473 | 0.68 | KMT2A (0.56) | KDM4EALDH1A1GLAGAASMN1; SMN2 |
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-110252351-B | Application of copper catalyst in catalyzing reaction of 1-pyridyl indole compound and tert-butyl nitrite | 苏州大学 | 2021-12-10 | — | — | CN | disclosed |
| CN-107698586-B | Method for preparing pyridoquinazolinone compound by catalysis of copper compound | 广州大学 | 2020-02-07 | — | — | CN | disclosed |