Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6280084 | 1.00 | CHRNB4 (0.41) | CHRNB4CHRNA3TACR1GRM2GRM3 | |
| SCHEMBL6280088 | 1.00 | CHRNB4 (0.41) | CHRNB4CHRNA3TACR1GRM2GRM3 | |
| SCHEMBL198727 | 0.88 | TACR1 (0.43) | TACR1 | |
| SCHEMBL19333652 | 0.88 | TACR1 (0.43) | TACR1 | |
| SCHEMBL3961462 | 0.75 | KCNA5 (0.42) | TACR1 | |
| SCHEMBL19333763 | 0.75 | KCNA5 (0.42) | TACR1 | |
| SCHEMBL3961464 | 0.75 | KCNA5 (0.42) | TACR1 | |
| SCHEMBL3961467 | 0.75 | KCNA5 (0.42) | TACR1 | |
| SCHEMBL3961461 | 0.75 | KCNA5 (0.42) | TACR1 | |
| Hydrochloric Acid SCHEMBL6234960 | 0.74 | TSHR (0.41) | TACR1 |
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 |