Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.41 |
| ▸ | CA1 | P00915 | 10/20 | 0.41 |
| ▸ | CA9 | Q16790 | 10/20 | 0.41 |
| ▸ | CA12 | O43570 | 9/20 | 0.41 |
| ▸ | CA6 | P23280 | 4/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.38 |
| ▸ | CA5A | P35218 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8484278 | 0.86 | CA2 (0.41) | CA2CA1CA9CA12CA6 | |
| SCHEMBL5240256 | 0.82 | PTGS2 (0.46) | CYP2C9PTGS2PTGS1 | |
| SCHEMBL10709066 | 0.82 | TSHR (0.38) | CA2CA1PTGS2 | |
| SCHEMBL21408564 | 0.78 | GSTO1 (0.44) | PTGS2 | |
| SCHEMBL208435 | 0.78 | CA1 (0.45) | CA2CA1CA9CA12CA6 | |
| SCHEMBL48885 | 0.77 | CA2 (0.52) | CA2CA1CA9CA12CA6 | |
| Hydrochloric Acid SCHEMBL6399557 | 0.75 | CA2 (0.50) | CA2CA1CA9CA12CA6 | |
| Methane SCHEMBL27503773 | 0.75 | CA2 (0.50) | CA2CA1CA9CA12CA6 | |
| SCHEMBL27842438 | 0.75 | CA1 (0.54) | CA2CA1CA9CA12CA6 | |
| SCHEMBL618853 | 0.72 | BACE1 (0.39) | PTGS2 |
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-1157010-A1 | PYRAZOLE-3-ON-DERIVATIVE AS FACTOR XA INHIBITORS | MERCK PATENT GmbH (DE) | 2001-11-28 | — | — | EP | disclosed |
| EP-1117664-A1 | IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT | MERCK PATENT GmbH (DE) | 2001-07-25 | — | — | EP | disclosed |
| EP-1107954-A1 | 2-OXO-$i(2H)-QUINOLINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000051989-A1 | PYRAZOLE-3-ON-DERIVATIVE AS FACTOR XA INHIBITORS | MERCK PATENT GMBH (DE) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000020416-A1 | IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 2000-04-13 | — | — | WO | disclosed |
| WO-2000012479-A1 | 2-OXO-2H-QUINOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-03-09 | — | — | WO | disclosed |
| US-5939418-A | ANTICOAGULANT | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-08-17 | — | — | US | disclosed |