Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7813623 | 0.98 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL23880652 | 0.81 | CYP2D6 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL5091772 | 0.81 | SIGMAR1 (0.59) | CYP2D6SIGMAR1BCL2LMNACHRM4 | |
| SCHEMBL5093688 | 0.81 | SIGMAR1 (0.59) | CYP2D6SIGMAR1BCL2LMNACHRM4 | |
| SCHEMBL5089212 | 0.79 | SIGMAR1 (0.61) | CYP2D6SIGMAR1BCL2LMNACHRM4 | |
| SCHEMBL11836940 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL11024439 | 0.76 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL11868000 | 0.71 | BCL2 (0.49) | CYP2D6SIGMAR1BCL2L3MBTL1HTT | |
| SCHEMBL6352845 | 0.71 | SIRT2 (0.33) | CYP3A4CYP2D6CYP2C9CYP2C19PTPN1 | |
| SCHEMBL3885050 | 0.69 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 |
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-7320993-B1 | Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents | ASTELLAS DEUTSCHLAND GMBH (DE) | 2008-01-22 | — | — | US | disclosed |
| EP-1042291-B1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE CO CHEM PHARM FAB (DE) | 2005-07-13 | — | — | EP | disclosed |
| EP-1042291-A1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | Klinge Pharma GmbH (DE) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031064-A1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE PHARMA GMBH (DE) | 1999-06-24 | — | — | WO | disclosed |