Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 9/20 | 0.40 |
| ▸ | KDR | P35968 | 9/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 SCHEMBL3034396 | 0.99 | AURKA (0.40) | AURKAKDRHTR1AHTR1DHTR1B | |
| SCHEMBL3049157 | 0.94 | AURKA (0.41) | AURKAKDRHTR1AHTR1DHTR1B | |
| SCHEMBL3048287 | 0.93 | AURKA (0.40) | AURKAKDRNQO2CDK1PKM | |
| Hydrochloric Acid SCHEMBL3039578 | 0.93 | AURKA (0.41) | AURKAKDRHTR1AHTR1DHTR1B | |
| SCHEMBL5043713 | 0.91 | KDR (0.39) | AURKAKDRNQO2CDK1PKM | |
| Hydrochloric Acid SCHEMBL3046786 | 0.91 | KDR (0.38) | AURKAKDRNQO2CDK1PKM | |
| Hydrochloric Acid SCHEMBL3047929 | 0.91 | AURKA (0.38) | AURKAKDRNQO2CDK1PKM | |
| SCHEMBL3054784 | 0.90 | AURKA (0.42) | AURKAKDRHTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL3046527 | 0.90 | AURKA (0.42) | AURKAKDRNQO2CDK1PKM | |
| Hydrochloric Acid SCHEMBL3042710 | 0.90 | AURKA (0.36) | AURKAKDRNQO2CDK1PKM |
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 |