Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 14/20 | 0.64 |
| ▸ | NOS1 | P29475 | 14/20 | 0.45 |
| ▸ | NOS2 | P35228 | 10/20 | 0.44 |
| ▸ | QRFPR | Q96P65 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7828477 | 0.99 | NOS3 (0.63) | NOS3NOS1NOS2QRFPRADRA2A | |
| SCHEMBL7482780 | 0.83 | NOS1 (0.46) | NOS3NOS1NOS2QRFPRADRA2A | |
| SCHEMBL7828344 | 0.78 | NOS3 (1.00) | NOS3NOS1NOS2ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL1867780 | 0.77 | NOS3 (0.62) | NOS3NOS1NOS2ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL7827939 | 0.77 | NOS3 (0.98) | NOS3NOS1NOS2 | |
| SCHEMBL7828896 | 0.71 | ROCK2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL7828473 | 0.70 | ROCK2 (0.41) | — | |
| SCHEMBL12364947 | 0.68 | MAOA (0.50) | NOS3 | |
| SCHEMBL7817523 | 0.66 | NOS3 (0.76) | NOS3NOS1NOS2 | |
| SCHEMBL7483304 | 0.66 | NOS3 (0.42) | NOS3NOS1NOS2QRFPRADRA2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983266-B1 | novel tetrahydroisoquinolin thiophenecarboximidamides | ASTRAZENECA AB (SE) | 2001-12-12 | — | — | EP | claimed |
| EP-0983266-A1 | COMPOUNDS | Astra Aktiebolag (SE) | 2000-03-08 | — | — | EP | claimed |
| WO-1998050380-A1 | COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1998-11-12 | — | — | WO | claimed |
| EP-0983266-B1 | novel tetrahydroisoquinolin thiophenecarboximidamides | ASTRAZENECA AB (SE) | 2001-12-12 | — | — | EP | disclosed |
| US-6166030-A | Compounds | ASTRA AKTIEBOLAG (SE) | 2000-12-26 | — | — | US | disclosed |
| EP-0983266-A1 | COMPOUNDS | Astra Aktiebolag (SE) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998050380-A1 | COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1998-11-12 | — | — | WO | disclosed |