Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 7/20 | 0.38 |
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 3/20 | 0.37 |
| ▸ | REN | P00797 | 2/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9545389 | 0.90 | ADORA3 (0.52) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL9073635 | 0.88 | ADORA3 (0.52) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL7335774 | 0.88 | ADORA3 (0.56) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL7268840 | 0.85 | ADORA3 (0.53) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL7336229 | 0.83 | ADORA3 (0.54) | ADORA3ADORA2AADORA2BADORA1PSMB1 | |
| SCHEMBL9544182 | 0.81 | ADORA3 (0.47) | ADORA3ADORA2AADORA2BADORA1BACE1 | |
| SCHEMBL9544260 | 0.80 | CTSD (0.42) | BACE1CTSD | |
| SCHEMBL9544242 | 0.80 | CYP3A4 (0.42) | ADORA3ADORA2AADORA2BADORA1BACE1 | |
| SCHEMBL9544557 | 0.77 | CTSD (0.47) | CTSD | |
| SCHEMBL7347323 | 0.76 | ADORA3 (0.42) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993018003-A1 | SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1993-09-16 | — | — | WO | claimed |