Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 5/20 | 0.41 |
| ▸ | KDR | P35968 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 6/20 | 0.36 |
| ▸ | DRD3 | P35462 | 6/20 | 0.36 |
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 SCHEMBL3051223 | 0.99 | AURKA (0.41) | AURKAKDRDRD2DRD3ACHE | |
| Hydrochloric Acid SCHEMBL3048285 | 0.95 | AURKA (0.39) | AURKAKDRDRD2DRD3ACHE | |
| Hydrochloric Acid SCHEMBL3047197 | 0.94 | AURKA (0.39) | AURKAKDRDRD2DRD3ACHE | |
| Hydrochloric Acid SCHEMBL3046036 | 0.93 | AURKA (0.38) | AURKAKDRDRD2DRD3ACHE | |
| SCHEMBL3043568 | 0.93 | AURKA (0.39) | AURKAKDRDRD2DRD3ACHE | |
| Hydrochloric Acid SCHEMBL3033630 | 0.92 | AURKA (0.42) | AURKAKDRACHENQO2CDK1 | |
| SCHEMBL3045069 | 0.92 | AURKA (0.42) | AURKAKDRACHENQO2CDK1 | |
| SCHEMBL3040153 | 0.91 | AURKA (0.40) | AURKAKDRACHENQO2CDK1 | |
| SCHEMBL3040152 | 0.91 | KDR (0.40) | AURKAKDRDRD2DRD3NQO2 | |
| Hydrochloric Acid SCHEMBL3038157 | 0.90 | KDR (0.39) | AURKAKDRNQO2CDK1 |
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 |