Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1806227 | 0.84 | SMN1; SMN2 (0.45) | TSHRALDH1A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2438026 | 0.79 | CPB1 (0.41) | CPB1FKBP1ATSHRALDH1A1CYP2C9 | |
| SCHEMBL696626 | 0.79 | CYP3A4 (0.40) | FKBP1ATSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3295119 | 0.77 | CYP2C19 (0.45) | FKBP1ATSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL18281695 | 0.77 | KMT2A (0.43) | TSHRALDH1A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL15665799 | 0.74 | ALDH1A1 (0.44) | FKBP1ATSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL15665561 | 0.74 | ALDH1A1 (0.44) | FKBP1ATSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL489617 | 0.73 | SMN1; SMN2 (0.42) | CPB1FKBP1ATSHRALDH1A1CYP3A4 | |
| SCHEMBL6810385 | 0.72 | ALDH1A1 (0.42) | CPB1FKBP1ATSHRALDH1A1CYP2C9 | |
| SCHEMBL8723700 | 0.71 | ALDH1A1 (0.43) | FKBP1ATSHRALDH1A1CYP2C9CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6900238-B1 | HIV protease inhibitors | THE SCRIPPS RESEARCH INSTITUTE (US) | 2005-05-31 | — | — | US | disclosed |
| EP-0873519-A4 | HIV PROTEASE INHIBITORS | SCRIPPS RESEARCH INST (US) | 2005-04-27 | — | — | EP | disclosed |
| EP-0873519-A1 | HIV PROTEASE INHIBITORS | The Scripps Research Institute (US) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997021100-A9 | HIV PROTEASE INHIBITORS | — | 1997-10-30 | — | — | WO | disclosed |
| WO-1997021100-A1 | HIV PROTEASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1997-06-12 | — | — | WO | disclosed |