Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CTSD | P07339 | 4/20 | 0.51 |
| ▸ | REN | P00797 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.39 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.39 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.39 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.39 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.39 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.39 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.39 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449614 | 0.91 | CTSD (0.53) | CA2CTSDRENCASP3BACE1 | |
| SCHEMBL7275766 | 0.89 | CTSD (0.51) | CA2CTSDRENBACE1CTSL | |
| SCHEMBL7270130 | 0.85 | CA2 (0.64) | CA2CTSDRENCASP3CASP7 | |
| SCHEMBL7275895 | 0.85 | PGR (0.47) | CA2CYP1A2CYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL7270084 | 0.85 | CTSD (0.53) | CTSDRENBACE1CTSLCTSB | |
| SCHEMBL6447678 | 0.85 | PGR (0.46) | CA2CYP1A2CYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL6445021 | 0.85 | PGR (0.46) | CA2CYP1A2CYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL6449059 | 0.85 | PGR (0.46) | CA2CYP1A2CYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL7269005 | 0.84 | CTSD (0.53) | CA2CTSDRENCASP3BACE1 | |
| SCHEMBL6445023 | 0.84 | CA2 (0.69) | CA2CTSDRENCASP3CASP7 |
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-0402646-B1 | Retroviral protease inhibiting compounds | ABBOTT LAB (US) | 1998-07-22 | — | — | 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 |