Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | GBA1 | P04062 | 3/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | WNT1 | P04628 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL6322030 | 0.97 | ALDH1A1 (0.52) | ALDH1A1KDM4EPKMKCNH2OPRL1 | |
| SCHEMBL6324148 | 0.87 | KDM4E (0.39) | ALDH1A1KDM4EPKMKCNH2USP2 | |
| SCHEMBL6331308 | 0.85 | KDM4E (0.42) | ALDH1A1KDM4EPKMKCNH2USP2 | |
| SCHEMBL6636865 | 0.84 | MEN1 (0.43) | ALDH1A1KCNH2GRIN2B | |
| SCHEMBL6640137 | 0.81 | KMT2A (0.43) | ALDH1A1KCNH2USP2GRIN2B | |
| SCHEMBL6325686 | 0.81 | PIM1 (0.41) | GBA1ADRA2CPIM1HPGDSCYP2D6 | |
| SCHEMBL6322714 | 0.79 | KDM4E (0.38) | ALDH1A1KDM4EPKMKCNH2OPRL1 | |
| SCHEMBL21408620 | 0.78 | MEN1 (0.49) | ALDH1A1GRIN2B | |
| SCHEMBL6324190 | 0.76 | KDM4E (0.40) | ALDH1A1KDM4EPKMKCNH2OPRL1 | |
| SCHEMBL6328543 | 0.76 | GPR39 (0.39) | ALDH1A1KDM4EPKMKCNH2OPRL1 |
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 10 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-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 |