Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | BMP1 | P13497 | 2/20 | 0.37 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12734839 | 0.86 | SPPL2A (0.47) | ALDH1A1TAS2R14MAPTLMNAGAA | |
| Hydrochloric Acid SCHEMBL1602148 | 0.85 | SPPL2A (0.47) | ALDH1A1TAS2R14MAPTLMNAGAA | |
| SCHEMBL12709319 | 0.81 | SPPL2A (0.40) | ALDH1A1TAS2R14MAPTLMNAGAA | |
| SCHEMBL12735016 | 0.81 | SPPL2A (0.40) | ALDH1A1TAS2R14MAPTLMNAGAA | |
| SCHEMBL4149300 | 0.79 | BMP1 (0.39) | ALDH1A1TAS2R14MAPTLMNAGAA | |
| SCHEMBL4165957 | 0.79 | SPPL2A (0.41) | ALDH1A1TAS2R14MAPTLMNAGAA | |
| SCHEMBL1602077 | 0.78 | SPPL2A (0.47) | ALDH1A1MAPTLMNAGAAHPGD | |
| SCHEMBL4347242 | 0.78 | SPPL2A (0.41) | ALDH1A1TAS2R14LMNABMP1MEP1B | |
| SCHEMBL12734840 | 0.78 | SPPL2A (0.44) | ALDH1A1LMNASPPL2A | |
| SCHEMBL13950812 | 0.78 | SPPL2A (0.44) | ALDH1A1LMNASPPL2A |
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-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-6617350-B2 | Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity | VERTEX PHARMACEUTICALS INCORPORATED | 2003-09-09 | — | — | US | disclosed |