Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | PTPRB | P23467 | 4/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7339982 | 1.00 | SCN9A (0.44) | SCN9ACA1CA2CA7CTSK | |
| SCHEMBL6730949 | 0.84 | SCN9A (0.46) | SCN9ACA1CA2CA7CTSK | |
| SCHEMBL6747611 | 0.82 | SCN9A (0.44) | SCN9ACA1CA2CA7CTSK | |
| SCHEMBL478732 | 0.82 | SCN9A (0.53) | SCN9ACTSKCTSSITGB3ITGA2B | |
| SCHEMBL8245755 | 0.82 | SCN9A (0.44) | SCN9ACA1CA2CA7CTSK | |
| SCHEMBL478735 | 0.82 | SCN9A (0.53) | SCN9ACTSKCTSSITGB3ITGA2B | |
| SCHEMBL5717580 | 0.82 | SCN9A (0.53) | SCN9ACTSKCTSSITGB3ITGA2B | |
| SCHEMBL23324594 | 0.81 | SCN9A (0.50) | SCN9ACTSKCTSSPTPRBKLK5 | |
| Hydrochloric Acid SCHEMBL28584085 | 0.81 | SCN9A (0.52) | SCN9ACTSKCTSSITGB3ITGA2B | |
| SCHEMBL9439647 | 0.81 | SCN9A (0.44) | SCN9ACA1CA2CA7CTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |