Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 8/20 | 0.40 |
| ▸ | KDR | P35968 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3044160 | 0.99 | AURKA (0.40) | AURKAKDRKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL3050101 | 0.96 | SMN1; SMN2 (0.40) | AURKAKDRKDM4EALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3051428 | 0.90 | AURKA (0.37) | AURKAKDRKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL3054784 | 0.90 | AURKA (0.42) | AURKAKDRKDM4EALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3043478 | 0.89 | AURKA (0.42) | AURKAKDRKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL3049157 | 0.89 | AURKA (0.41) | AURKAKDRKDM4EALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3039578 | 0.88 | AURKA (0.41) | AURKAKDRKDM4EALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3048098 | 0.87 | AURKA (0.40) | AURKAKDRKDM4EALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3047330 | 0.87 | AURKA (0.40) | AURKAKDRKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL3047838 | 0.87 | AURKA (0.40) | AURKAKDRKDM4EALDH1A1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-7745641-B2 | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2010-06-29 | — | — | US | claimed |