Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 11/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL14200858 | 0.90 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL14201033 | 0.90 | IDO1 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL14200871 | 0.87 | IDO1 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL14200500 | 0.86 | RIPK1 (0.38) | HDAC8RIPK1MEN1KMT2A | |
| SCHEMBL14200889 | 0.86 | HDAC8 (0.33) | HDAC8RIPK1 | |
| SCHEMBL14200487 | 0.85 | ALDH1A1 (0.43) | KDM4EMEN1KMT2A | |
| SCHEMBL14201017 | 0.85 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL14229265 | 0.85 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL14201016 | 0.84 | CHRNA1 (0.39) | CYP1A2CYP2C9CYP2C19HDAC8MEN1 | |
| SCHEMBL14201039 | 0.83 | IDO1 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |