Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14229475 | 0.91 | ALDH1A1 (0.39) | ALDH1A1HPGDMAPTNPC1GAA | |
| SCHEMBL14230191 | 0.85 | TAS1R3 (0.45) | ALDH1A1HPGDNPC1CYP2C19CYP3A4 | |
| SCHEMBL14229552 | 0.85 | EPHX2 (0.42) | ALDH1A1HPGDMAPTNPC1GAA | |
| SCHEMBL14201110 | 0.84 | ALDH1A1 (0.40) | ALDH1A1HPGDMAPTNPC1GAA | |
| SCHEMBL14229313 | 0.84 | PTGS2 (0.37) | — | |
| SCHEMBL14229114 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDMAPTNPC1GAA | |
| SCHEMBL14229087 | 0.77 | GAA (0.34) | GAACYP2C19S1PR1 | |
| SCHEMBL14229433 | 0.77 | GAA (0.34) | ALDH1A1HPGDGAAS1PR1 | |
| SCHEMBL14229485 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTNPC1GAA | |
| SCHEMBL14201155 | 0.77 | ALDH1A1 (0.40) | ALDH1A1HPGDMAPTNPC1GAA |
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 |