Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 5/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6805605 | 0.82 | ALDH1A1 (0.44) | GABRA1GABRB2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6804116 | 0.81 | ALDH1A1 (0.43) | GABRA1GABRB2ALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6805332 | 0.81 | ALDH1A1 (0.43) | GABRA1GABRB2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7336858 | 0.80 | GABRA1 (0.32) | GABRA1GABRB2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7953850 | 0.74 | IDO1 (0.41) | GABRA1GABRB2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6804076 | 0.74 | ALDH1A1 (0.36) | GABRA1GABRB2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6805374 | 0.73 | GPBAR1 (0.39) | ALDH1A1CYP1A2MAPK1GPBAR1MAPT | |
| SCHEMBL6805197 | 0.72 | MAPK1 (0.38) | GABRA1GABRB2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6803008 | 0.71 | GPBAR1 (0.40) | ALDH1A1TDP1GPBAR1POLB | |
| SCHEMBL6802612 | 0.71 | ALDH1A1 (0.33) | ALDH1A1CYP1A2TDP1CYP2C9MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6750342-B1 | INHIBITORS OF SERINE PROTEASES; ANTICOAGULANT | PHARMACIA CORPORATION | 2004-06-15 | — | — | US | disclosed |
| EP-1178970-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS | Pharmacia Corporation (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2001087851-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | disclosed |
| WO-2000069832-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS | PHARMACIA CORPORATION (US) | 2000-11-23 | — | — | WO | disclosed |