Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.56 |
| ▸ | CTSL | P07711 | 5/20 | 0.55 |
| ▸ | TACR1 | P25103 | 2/20 | 0.52 |
| ▸ | MME | P08473 | 1/20 | 0.50 |
| ▸ | ECE1 | P42892 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 3/20 | 0.48 |
| ▸ | CTSB | P07858 | 3/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CTSD | P07339 | 1/20 | 0.48 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.47 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.47 |
| ▸ | REN | P00797 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7270223 | 0.93 | PSMB1 (0.59) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL7270738 | 0.87 | ADORA3 (0.63) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL7384058 | 0.87 | PSMB1 (0.60) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL7417704 | 0.87 | PSMB1 (0.60) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL5344617 | 0.86 | ADORA3 (0.59) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL7270838 | 0.86 | PSMB1 (0.70) | PSMB1CTSLCTSKCTSBCTSS | |
| SCHEMBL7420596 | 0.85 | PSMB1 (0.61) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL7418250 | 0.85 | PSMB1 (0.61) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL27327218 | 0.85 | PSMB1 (0.56) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL7412449 | 0.85 | PSMB1 (0.61) | ADORA3ADORA2AADORA2BADORA1PSMB1 |
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 4 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 |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |