Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | GLA | P06280 | 4/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28355804 | 0.81 | KDM4E (0.59) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL28687784 | 0.81 | KDM4E (0.59) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL8968369 | 0.81 | GAA (0.44) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL11247053 | 0.78 | KDM4E (0.59) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL28662591 | 0.75 | KDM4E (0.59) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL2427657 | 0.75 | KDM4E (1.00) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30228536 | 0.73 | KDM4E (0.96) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL9535141 | 0.73 | CYP1A2 (0.50) | GAASMN1; SMN2PIK3CDMAPTPARP1 | |
| SCHEMBL11357473 | 0.71 | KMT2A (0.56) | KDM4EALDH1A1GLAGAASMN1; SMN2 | |
| SCHEMBL11549158 | 0.71 | KDM4E (0.74) | 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 1 patent. 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 |