Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 10/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 10/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 10/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 9/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 9/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5093516 | 0.98 | KIF11 (0.59) | KIF11SIGMAR1CHRM4CHRM5CHRM3 | |
| SCHEMBL5091996 | 0.98 | KIF11 (0.59) | KIF11SIGMAR1CHRM4CHRM5CHRM3 | |
| SCHEMBL11575079 | 0.94 | KIF11 (0.69) | KIF11SIGMAR1CHRM4CHRM5CHRM3 | |
| SCHEMBL4431781 | 0.89 | SIGMAR1 (0.66) | KIF11SIGMAR1CHRM4CHRM5CHRM3 | |
| SCHEMBL11181214 | 0.85 | KIF11 (0.56) | KIF11SIGMAR1CHRM4CHRM5CHRM3 | |
| SCHEMBL20850829 | 0.81 | KIF11 (0.53) | KIF11CHRM4CHRM5CHRM3CHRM2 | |
| SCHEMBL20850788 | 0.81 | KIF11 (0.53) | KIF11CHRM4CHRM5CHRM3CHRM2 | |
| SCHEMBL20850651 | 0.81 | KIF11 (0.53) | KIF11CHRM4CHRM5CHRM3CHRM2 | |
| Butylamine SCHEMBL9107548 | 0.81 | KIF11 (0.53) | KIF11SIGMAR1CHRM4CHRM5CHRM3 | |
| SCHEMBL6226052 | 0.81 | KIF11 (0.83) | KIF11KCNH2CYP2D6CYP3A4CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016144106-A1 | METHOD FOR PREPARING FOUR-COORDINATED ORGANIC BORON COMPOUND | 한국화학연구원 | 2016-09-15 | — | — | WO | disclosed |
| 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 |