Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 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 | |
|---|---|---|---|---|
| SCHEMBL14229440 | 0.92 | TP53 (0.47) | TP53NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14201015 | 0.85 | NPSR1 (0.41) | TP53NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14229428 | 0.84 | TP53 (0.50) | TP53ALDH1A1LMNALTB4R2MEN1 | |
| SCHEMBL14229452 | 0.81 | TP53 (0.50) | TP53NPSR1ALDH1A1LMNAMEN1 | |
| SCHEMBL14229460 | 0.79 | NPSR1 (0.37) | TP53NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14229074 | 0.78 | CYP1A2 (0.36) | TP53NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14201035 | 0.78 | MLYCD (0.38) | TP53NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14229265 | 0.77 | CYP1A2 (0.39) | TP53NPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14229264 | 0.77 | TP53 (0.59) | TP53ALDH1A1LMNALTB4R2MEN1 | |
| SCHEMBL14229061 | 0.76 | TP53 (0.48) | TP53ALDH1A1LMNALTB4R2MEN1 |
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 |