Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4958627 | 0.88 | MEN1 (0.42) | MEN1KMT2APARP1METCHEK1 | |
| SCHEMBL4962614 | 0.83 | CHRM2 (0.40) | CHRM2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL4959121 | 0.82 | BRD4 (0.43) | MEN1KMT2APARP1CHEK1AURKA | |
| SCHEMBL4959062 | 0.78 | ALK (0.56) | CHRM2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL4960991 | 0.77 | RIPK1 (0.50) | MEN1KMT2APARP1METCHEK1 | |
| SCHEMBL14594978 | 0.75 | BRD4 (0.68) | BRD4 | |
| SCHEMBL684505 | 0.74 | KMT2A (0.51) | TBXAS1MEN1KMT2A | |
| SCHEMBL4960713 | 0.74 | CHEK1 (0.49) | MEN1KMT2APARP1CHEK1AURKA | |
| SCHEMBL4959184 | 0.72 | BRD4 (0.44) | MEN1KMT2APARP1CHEK1AURKA | |
| SCHEMBL14594981 | 0.71 | GAA (0.46) | MEN1KMT2APARP1METCHEK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896472-A1 | ALPHA-CARBOLINES AS CDK-1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006131552-A1 | ALPHA-CARBOLINES AS CDK-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-12-14 | — | — | WO | disclosed |