Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCARB1 | Q8WTV0 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | IGF1R | P08069 | 2/20 | 0.44 |
| ▸ | FLT4 | P35916 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | HTR5A | P47898 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5810777 | 0.77 | PTGDR2 (0.48) | NPC1ALDH1A1RAB9A | |
| SCHEMBL5811928 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TSHRAKR1C4PTGS1AKR1C3 | |
| SCHEMBL4780961 | 0.72 | SCARB1 (0.61) | SCARB1NPC1ALDH1A1RAB9A | |
| SCHEMBL8388005 | 0.72 | PTGDR2 (0.51) | ALDH1A1TSHRKCNH2 | |
| SCHEMBL2020046 | 0.71 | CNR1 (0.55) | — | |
| SCHEMBL4727932 | 0.70 | SCARB1 (0.54) | SCARB1NPC1RAB9AHTR5A | |
| SCHEMBL22134575 | 0.69 | AKR1C4 (0.39) | NPC1ALDH1A1RAB9AAKR1C4PTGS1 | |
| SCHEMBL11836306 | 0.68 | AKR1C3 (0.48) | ALDH1A1TSHRAKR1C4PTGS1AKR1C3 | |
| SCHEMBL10460820 | 0.68 | LTA4H (0.73) | NPC1ALDH1A1TSHRRAB9AEGFR | |
| SCHEMBL13011086 | 0.68 | PTGDR2 (0.45) | ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008021745-A2 | HEPATITIS C VIRUS ENTRY INHIBITORS | ITHERX PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |