Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 9/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7269055 | 0.98 | CA2 (0.52) | CA2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7270066 | 0.89 | CA2 (0.56) | CA2CYP1A2CYP3A4CYP2C9CTSD | |
| SCHEMBL622850 | 0.84 | CTSB (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19CTSD | |
| SCHEMBL6449601 | 0.83 | CA2 (0.70) | CA2CYP1A2CTSD | |
| SCHEMBL6452567 | 0.83 | CA2 (0.56) | CA2CYP3A4CYP2C9CYP2C19CTSD | |
| SCHEMBL6446319 | 0.82 | CTSD (0.63) | CA2CYP1A2CYP3A4CYP2C19CTSD | |
| SCHEMBL7332956 | 0.82 | CTSD (0.51) | CA2CTSDBACE1 | |
| SCHEMBL6448343 | 0.82 | CTSD (0.63) | CA2CYP1A2CYP3A4CYP2C19CTSD | |
| SCHEMBL7341937 | 0.82 | CA2 (0.72) | CA2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7338211 | 0.82 | CA2 (0.72) | CA2CYP1A2CYP3A4CYP2C9CYP2C19 |
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 6 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 |
| 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 |