Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 13/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.45 |
| ▸ | GAA | P10253 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | THRB | P10828 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 SCHEMBL8377837 | 0.99 | NOS2 (0.51) | NOS2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL7806698 | 0.93 | NOS2 (0.54) | NOS2KDM4EALDH1A1GAASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8379186 | 0.92 | NOS2 (0.53) | NOS2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL7806671 | 0.86 | NOS2 (0.57) | NOS2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL7805025 | 0.72 | NOS2 (0.64) | NOS2 | |
| Hydrochloric Acid SCHEMBL8379182 | 0.72 | NOS2 (0.44) | NOS2KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL7806768 | 0.72 | NOS2 (0.44) | NOS2KDM4EALDH1A1GAASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8377836 | 0.71 | NOS2 (0.43) | NOS2KDM4EALDH1A1GAASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8382185 | 0.69 | NOS2 (0.97) | NOS2 | |
| SCHEMBL7802803 | 0.69 | NOS2 (0.68) | NOS2 |
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 3 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 |
| EP-1100505-A1 | A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR AND A iNOS INHIBITOR | AstraZeneca AB (SE) | 2001-05-23 | — | — | EP | claimed |
| WO-2000000200-A1 | A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR AND A iNOS INHIBITOR | ASTRAZENECA AB (SE) | 2000-01-06 | — | — | WO | claimed |