Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7212256 | 0.72 | NPSR1 (0.38) | ALDH1A1LMNAKDM4E | |
| SCHEMBL845602 | 0.70 | — | — | |
| SCHEMBL845600 | 0.70 | — | — | |
| SCHEMBL9762967 | 0.70 | — | — | |
| SCHEMBL21393711 | 0.68 | ALDH1A1 (0.39) | ALDH1A1LMNASMN1; SMN2KDM4ERAB9A | |
| SCHEMBL19531835 | 0.65 | ALDH1A1 (0.40) | ALDH1A1LMNASMN1; SMN2KDM4ERAB9A | |
| SCHEMBL940715 | 0.65 | CYP2C19 (0.31) | — | |
| SCHEMBL5072354 | 0.65 | SLC6A1 (0.31) | — | |
| SCHEMBL3578695 | 0.65 | CYP2C19 (0.31) | — | |
| SCHEMBL6284592 | 0.64 | OPRM1 (0.38) | SMN1; SMN2KDM4E |
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 |