Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 7/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | REN | P00797 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6446319 | 0.94 | CTSD (0.63) | CTSDCYP3A4CA2CTSLCTSB | |
| SCHEMBL6448343 | 0.94 | CTSD (0.63) | CTSDCYP3A4CA2CTSLCTSB | |
| SCHEMBL6449478 | 0.94 | CTSD (0.63) | CTSDCYP3A4CA2CTSLCTSB | |
| SCHEMBL7268971 | 0.93 | CTSD (0.63) | CTSDCYP3A4CA2CTSLCTSB | |
| SCHEMBL7275770 | 0.92 | CTSD (0.65) | CTSDCYP3A4CA2CTSLCTSB | |
| SCHEMBL7342149 | 0.91 | CTSD (0.68) | CTSDCA2CTSLREN | |
| SCHEMBL7333846 | 0.90 | CYP3A4 (0.56) | CYP3A4CTSLCTSB | |
| SCHEMBL7341438 | 0.90 | CYP3A4 (0.56) | CYP3A4CTSLCTSB | |
| SCHEMBL6446462 | 0.88 | CTSD (0.56) | CTSDCYP3A4 | |
| SCHEMBL6448595 | 0.88 | CTSD (0.69) | CTSDCA2CTSLCTSBREN |
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-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 |