Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL441865 | 0.85 | PARP1 (0.58) | PARP1CA12CA1CA2CA7 | |
| SCHEMBL1807480 | 0.85 | PARP1 (0.58) | PARP1CA12CA1CA2CA7 | |
| SCHEMBL1807992 | 0.85 | KDM4E (0.46) | PARP1CYP3A4SMN1; SMN2TSHRPARP10 | |
| SCHEMBL890399 | 0.85 | CYP3A4 (0.44) | PARP1CYP3A4SMN1; SMN2TSHRPARP10 | |
| Hydrochloric Acid SCHEMBL31548602 | 0.82 | PARP1 (0.56) | PARP1CA12CA1CA2CA7 | |
| Iodide SCHEMBL9844728 | 0.82 | KDM4E (0.45) | PARP1CYP3A4SMN1; SMN2TSHRPARP10 | |
| Hydrochloric Acid SCHEMBL9563848 | 0.82 | CYP3A4 (0.43) | PARP1CYP3A4SMN1; SMN2TSHRPARP10 | |
| SCHEMBL571808 | 0.81 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29581511 | 0.81 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL2178065 | 0.79 | CA12 (0.65) | CA12CA1CA2CA7CA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7015223-B1 | Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2006-03-21 | — | — | US | claimed |
| US-20040116430-A1 | Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2004-06-17 | — | — | US | claimed |
| US-6653316-B1 | Coronary artery and cerebrovascular diseases | PHARMACIA CORPORATION | 2003-11-25 | — | — | US | claimed |
| WO-2001087851-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | claimed |
| US-7015223-B1 | Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2006-03-21 | — | — | US | disclosed |
| US-6870056-B1 | Substitituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2005-03-22 | — | — | US | disclosed |
| US-20040116430-A1 | Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2004-06-17 | — | — | US | disclosed |
| US-6653316-B1 | Coronary artery and cerebrovascular diseases | PHARMACIA CORPORATION | 2003-11-25 | — | — | US | disclosed |
| WO-2001087842-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | disclosed |