Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6331673 | 0.85 | CYP2A6 (0.48) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL16719738 | 0.83 | CHRNB2 (0.35) | CYP1A2CYP3A4CYP2C19CLK4CYP2D6 | |
| SCHEMBL6638777 | 0.80 | TAAR1 (0.44) | ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL6331970 | 0.74 | CYP2D6 (0.40) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL16720066 | 0.73 | HSD17B1 (0.38) | CYP3A4ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL16720106 | 0.73 | HTR7 (0.39) | — | |
| SCHEMBL6637613 | 0.72 | CHRNB2 (0.39) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL7393013 | 0.72 | CYP2A6 (0.38) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL6337574 | 0.71 | KDM4E (0.38) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL6324148 | 0.69 | KDM4E (0.39) | ALDH1A1CYP2D6KDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6858616-B2 | Nitrogen containing heterobicycles as factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-02-22 | — | — | US | disclosed |
| EP-1140871-A4 | THROMBIN OR FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-05-06 | — | — | EP | disclosed |
| EP-1337251-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-08-27 | — | — | EP | disclosed |
| US-6500855-B1 | NITROGEN CONTAINING AROMATIC HETEROCYCLES WITH ORTHO-SUBSTITUTED P1 GROUPS; ANTICOAGULANTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-12-31 | — | — | US | disclosed |
| WO-2002102380-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-12-27 | — | — | WO | disclosed |
| US-6413980-B1 | INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-07-02 | — | — | US | disclosed |
| US-6369227-B1 | BLOOD COAGULATION | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-04-09 | — | — | US | disclosed |
| EP-1140871-A1 | THROMBIN OR FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| EP-1140941-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039131-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |
| WO-2000039108-A1 | THROMBIN OR FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |