Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MLYCD | O95822 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14228926 | 0.89 | CES1 (0.40) | CES1MLYCD | |
| SCHEMBL14228929 | 0.85 | CA1 (0.39) | CES1MLYCD | |
| SCHEMBL14230124 | 0.82 | CES1 (0.34) | RORCCES1 | |
| SCHEMBL14200414 | 0.82 | CNR1 (0.32) | RORC | |
| SCHEMBL14200216 | 0.80 | CES1 (0.34) | CES1 | |
| SCHEMBL14229348 | 0.79 | BMP1 (0.32) | CES1CYP1A2CYP3A4CYP2C9PKM | |
| SCHEMBL14229197 | 0.78 | CES1 (0.35) | CES1MLYCD | |
| SCHEMBL14229149 | 0.77 | BMP1 (0.41) | CYP1A2CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL14229686 | 0.76 | PIK3CD (0.35) | CYP1A2CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL14229525 | 0.76 | CNR2 (0.38) | CYP1A2CYP3A4CYP2C9PKMCYP2C19 |
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 |