Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | FABP3 | P05413 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL663765 | 0.80 | CETP (0.47) | CETP | |
| SCHEMBL16363097 | 0.76 | CYP1A2 (0.34) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL16363069 | 0.74 | ALDH1A1 (0.37) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL663938 | 0.74 | CETP (0.36) | CETP | |
| SCHEMBL2298907 | 0.72 | CYP1A2 (0.35) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL15182457 | 0.70 | PTGES (0.42) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL15182479 | 0.69 | PTGES (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL15182456 | 0.69 | LMNA (0.39) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL10196403 | 0.68 | CETP (0.43) | CYP1A2CYP2C9CYP2C19GAALMNA | |
| SCHEMBL663282 | 0.66 | CETP (0.42) | CETP |
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-2536733-A1 | TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION | Boehringer Ingelheim International GmbH (DE) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101424-A1 | TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-25 | — | — | WO | disclosed |