Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 2/20 | 0.40 |
| ▸ | VCP | P55072 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6320544 | 0.88 | CYP2D6 (0.35) | PIM1IDO1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6640607 | 0.85 | MEN1 (0.42) | CXCR4IDO1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6322030 | 0.81 | ALDH1A1 (0.52) | PIM1ADRA2CIDO1GBA1CYP2D6 | |
| SCHEMBL6329476 | 0.81 | ALDH1A1 (0.49) | PIM1ADRA2CHPGDSKCNA5IDO1 | |
| SCHEMBL6322319 | 0.80 | MEN1 (0.37) | PDE5ACXCR4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6321221 | 0.77 | GPR39 (0.42) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7387127 | 0.73 | HPGDS (0.41) | ADRA2CCYP2A6HPGDSKCNA5CYP2E1 | |
| SCHEMBL8195408 | 0.72 | CYP2A6 (0.41) | ADRA2CCYP2A6KCNA5CYP2E1CYP2D6 | |
| SCHEMBL6331673 | 0.71 | CYP2A6 (0.48) | ADRA2CCYP2A6KCNA5CYP2E1CYP2D6 | |
| SCHEMBL12200976 | 0.71 | CYP1A2 (0.67) | CXCR4CYP2D6 |
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-6951872-B2 | Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-10-04 | — | — | US | disclosed |
| 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 |
| US-6710058-B2 | USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-23 | — | — | US | disclosed |
| US-6500855-B1 | NITROGEN CONTAINING AROMATIC HETEROCYCLES WITH ORTHO-SUBSTITUTED P1 GROUPS; ANTICOAGULANTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-12-31 | — | — | US | 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-1140941-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| EP-1140871-A1 | THROMBIN OR FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039108-A1 | THROMBIN OR FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |
| WO-2000039131-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |