Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 11/20 | 0.65 |
| ▸ | NOS3 | P29474 | 6/20 | 0.65 |
| ▸ | NOS1 | P29475 | 5/20 | 0.65 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8380046 | 0.99 | NOS2 (0.64) | NOS2NOS3NOS1PARP1PARP2 | |
| SCHEMBL7804437 | 0.80 | NOS2 (0.61) | NOS2NOS3NOS1 | |
| SCHEMBL7802867 | 0.79 | NOS2 (1.00) | NOS2NOS3NOS1GAABACE1 | |
| Hydrochloric Acid SCHEMBL8381046 | 0.79 | NOS2 (0.59) | NOS2NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL8379640 | 0.78 | NOS2 (0.97) | NOS2NOS3NOS1GAABACE1 | |
| SCHEMBL7806675 | 0.75 | NOS2 (0.81) | NOS2NOS3NOS1BACE1 | |
| Hydrochloric Acid SCHEMBL8517333 | 0.74 | NOS2 (0.79) | NOS2NOS3NOS1BACE1 | |
| SCHEMBL7806785 | 0.74 | NOS2 (1.00) | NOS2NOS3NOS1BACE1 | |
| Hydrochloric Acid SCHEMBL8382095 | 0.73 | NOS2 (0.97) | NOS2NOS3NOS1BACE1 | |
| SCHEMBL7804417 | 0.73 | NOS2 (0.67) | NOS2NOS3NOS1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6248745-B1 | MIXTURE COMPRISING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR AND A 1,2-DIHYDRO-4-AMINOQUINAZOLINE DERIVATIVE INHIBITOR OF INDUCED NITRIC OXIDE SYNTHASE (INOS); NON-STEROIDAL ANTIINFLAMMATORY AGENTS | ASTRAZENECA AB (SE) | 2001-06-19 | — | — | US | claimed |
| CN-1204327-A | Pharmaceutically active quinazoline compounds | ASTRA PHARMA PROD (GB) | 1999-01-06 | — | — | CN | disclosed |