Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | TSPO | P30536 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL14200762 | 0.92 | NPC1 (0.33) | L3MBTL1CNR2TP53HPGD | |
| SCHEMBL14200771 | 0.88 | HTT (0.35) | L3MBTL1CNR2TSPOMEN1HPGD | |
| SCHEMBL14200479 | 0.87 | TAS1R3 (0.44) | TAS1R3TAS1R1TP53CYP2C9CYP2C19 | |
| SCHEMBL14200769 | 0.87 | TSPO (0.32) | TAS1R3TAS1R1L3MBTL1CNR2TSPO | |
| SCHEMBL14229405 | 0.83 | TP53 (0.36) | TAS1R3TAS1R1TSPOTP53MEN1 | |
| SCHEMBL14201353 | 0.81 | ALDH1A1 (0.39) | L3MBTL1TSPOTP53MEN1HPGD | |
| SCHEMBL14200798 | 0.81 | NPC1 (0.34) | CNR2TP53 | |
| SCHEMBL14200772 | 0.81 | HTT (0.34) | L3MBTL1CNR2TSPOMEN1HPGD | |
| SCHEMBL14201104 | 0.80 | CHRNA1 (0.36) | TP53CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL14200835 | 0.80 | RIPK1 (0.33) | — |
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 3 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 |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |