Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6643796 | 0.97 | CYP2C19 (0.41) | CYP2C19HIF1ACHRNB2CHRNA4BRD4 | |
| SCHEMBL7381788 | 0.95 | CYP2C19 (0.43) | CYP2C19HIF1ACHRNB2CHRNA4BRD4 | |
| SCHEMBL7392732 | 0.87 | SIGMAR1 (0.41) | KDM4EALDH1A1LMNAL3MBTL1 | |
| SCHEMBL7390599 | 0.84 | HTR7 (0.40) | CYP2C19HIF1AKDM4EALDH1A1LMNA | |
| SCHEMBL6641136 | 0.81 | TGFBR1 (0.40) | CYP2C19HIF1ACHRNB2CHRNA4KDM4E | |
| SCHEMBL7388323 | 0.80 | CYP2C19 (0.40) | CYP2C19HIF1ABRD4KDM4EALDH1A1 | |
| SCHEMBL7390870 | 0.78 | HTR7 (0.42) | CYP2C19KDM4EALDH1A1LMNATP53 | |
| SCHEMBL7385735 | 0.77 | CHRNB2 (0.47) | CHRNB2CHRNA4ALDH1A1HRH3CYP1A2 | |
| SCHEMBL6641151 | 0.75 | OPRK1 (0.44) | CYP2C19KDM4EALDH1A1LMNATP53 | |
| SCHEMBL6637618 | 0.74 | CHRNB2 (0.50) | CYP2C19HIF1ACHRNB2CHRNA4HRH3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6060491-A | ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; PROPHYLAXIS | DUPONT PHARMACEUTICALS (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| EP-0991625-A2 | INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-12 | — | — | EP | disclosed |
| US-5998424-A | ANTICOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |
| WO-1998057937-A2 | INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |