Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 14/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 7/20 | 0.37 |
| ▸ | HTR2A | P28223 | 7/20 | 0.37 |
| ▸ | HTR2C | P28335 | 6/20 | 0.37 |
| ▸ | EEF2K | O00418 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 10/20 | 0.36 |
| ▸ | DRD4 | P21917 | 4/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL14312284 | 0.99 | HRH3 (0.39) | HRH3DRD3KCNH2HTR1AHTR2A | |
| SCHEMBL3654437 | 0.97 | HRH3 (0.40) | HRH3DRD3KCNH2HTR1AHTR2A | |
| SCHEMBL14312375 | 0.95 | EEF2K (0.38) | HRH3DRD3KCNH2HTR1AHTR2A | |
| SCHEMBL3652480 | 0.91 | EEF2K (0.41) | HRH3DRD3KCNH2HTR1AHTR2A | |
| SCHEMBL3656989 | 0.91 | KDM4E (0.41) | HRH3EEF2KMMP13 | |
| SCHEMBL3088904 | 0.90 | EEF2K (0.48) | HRH3DRD3KCNH2HTR1AHTR2A | |
| SCHEMBL3089418 | 0.89 | EEF2K (0.48) | HRH3DRD3KCNH2HTR1AHTR2A | |
| SCHEMBL3652451 | 0.87 | EEF2K (0.39) | EEF2KIKBKB | |
| SCHEMBL3652423 | 0.87 | EEF2K (0.39) | EEF2KIKBKB | |
| SCHEMBL3092241 | 0.87 | EEF2K (0.49) | HRH3DRD3KCNH2HTR1AHTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2197886-B1 | 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH (DE) | 2012-12-26 | — | — | EP | claimed |
| EP-2197886-A1 | 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS | Merck Patent GmbH (DE) | 2010-06-23 | — | — | EP | claimed |
| WO-2009049743-A1 | 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH (DE) | 2009-04-23 | — | — | WO | claimed |
| EP-2197886-B1 | 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH (DE) | 2012-12-26 | — | — | EP | disclosed |