Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 17/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 SCHEMBL7828473 | 0.99 | ROCK2 (0.41) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL7482771 | 0.83 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL3111905 | 0.78 | NOS3 (0.55) | ROCK2ROCK1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7827936 | 0.77 | NOS3 (0.54) | ROCK2ROCK1CYP3A4 | |
| Hydrochloric Acid SCHEMBL1789491 | 0.75 | ROCK2 (0.45) | ROCK2CYP3A4 | |
| SCHEMBL8018232 | 0.75 | ROCK2 (0.43) | ROCK2ROCK1CYP3A4 | |
| Hydrochloric Acid SCHEMBL8021484 | 0.74 | MAOA (0.44) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL2248318 | 0.72 | ACLY (0.53) | ROCK2CYP3A4 | |
| SCHEMBL7827664 | 0.71 | ROCK2 (0.38) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL8007582 | 0.71 | DRD2 (0.43) | ROCK2ROCK1CYP3A4 |
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 |