Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CTSD | P07339 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9742352 | 1.00 | CA2 (0.73) | CA2CYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL6449601 | 0.89 | CA2 (0.70) | CA2CYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL7269412 | 0.87 | CA2 (0.67) | CA2CYP1A2CYP2D6MAPTTSHR | |
| A-76928 SCHEMBL6449595 | 0.84 | CA2 (1.00) | CA2CYP1A2CYP2D6MAPTTSHR | |
| A-77003 SCHEMBL2770013 | 0.84 | CA2 (1.00) | CA2CYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL6445023 | 0.84 | CA2 (0.69) | CA2CYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL6447680 | 0.84 | CA2 (0.69) | CA2CYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL7343161 | 0.84 | CA2 (0.69) | CA2CYP1A2CYP2D6MAPTTSHR | |
| A-77003 SCHEMBL8749867 | 0.84 | CA2 (1.00) | CA2CYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL9227910 | 0.84 | CA2 (0.69) | CA2CYP1A2CYP2D6MAPTTSHR |
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-B1 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LAB (US) | 2005-08-17 | — | — | EP | disclosed |
| 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 |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |