Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 11/20 | 0.69 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MYB | P10242 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
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 SCHEMBL8381026 | 0.99 | NOS2 (0.68) | NOS2NOS1NPC1RAB9ALRRK2 | |
| SCHEMBL7802794 | 0.82 | NOS2 (1.00) | NOS2NOS1 | |
| Hydrochloric Acid SCHEMBL8378309 | 0.81 | NOS2 (0.96) | NOS2NOS1 | |
| SCHEMBL7802808 | 0.78 | NOS2 (0.78) | NOS2NOS1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8381045 | 0.77 | NOS2 (0.76) | NOS2NOS1NPC1RAB9A | |
| SCHEMBL7940647 | 0.77 | NOS2 (0.69) | NOS2NOS1NPC1RAB9ALRRK2 | |
| SCHEMBL7806725 | 0.74 | NOS2 (0.66) | NOS2NOS1LRRK2 | |
| Hydrochloric Acid SCHEMBL8379923 | 0.73 | NOS2 (0.64) | NOS2NOS1LRRK2 | |
| SCHEMBL23939363 | 0.67 | LRRK2 (0.43) | NPC1RAB9ALRRK2CCKBRKDR | |
| SCHEMBL7938376 | 0.67 | NOS2 (0.59) | NOS2NOS1TSHR |
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 |