Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.52 |
| ▸ | NOS2 | P35228 | 4/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NEK2 | P51955 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 SCHEMBL8376562 | 0.99 | NOS1 (0.52) | NOS1NOS2CA12CA1CA2 | |
| SCHEMBL7804502 | 0.90 | RXFP1 (0.53) | NOS1NOS2CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL8376490 | 0.89 | RXFP1 (0.52) | NOS1NOS2CA12CA1CA2 | |
| SCHEMBL7796711 | 0.87 | NOS2 (0.58) | NOS1NOS2CA12CA1CA2 | |
| SCHEMBL7804452 | 0.87 | NOS2 (0.57) | NOS1NOS2HPGDALDH1A1NEK2 | |
| SCHEMBL7796668 | 0.86 | NOS2 (0.57) | NOS1NOS2CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL8379932 | 0.86 | NOS2 (0.57) | NOS1NOS2CA12CA1CA2 | |
| SCHEMBL7931778 | 0.86 | NOS2 (0.57) | NOS1NOS2HTTALDH1A1NEK2 | |
| Hydrochloric Acid SCHEMBL8378262 | 0.86 | NOS2 (0.56) | NOS1NOS2HPGDALDH1A1NEK2 | |
| Hydrochloric Acid SCHEMBL8377866 | 0.85 | NOS2 (0.56) | NOS1NOS2CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |