Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | WHR1 | P49842 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | NPR1 | P16066 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 2/20 | 0.38 |
| ▸ | CCND1 | P24385 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4142890 | 0.86 | USP30 (0.48) | — | |
| SCHEMBL4135603 | 0.83 | FASN (0.47) | PARP1KMT2AMEN1WHR1MAPK8 | |
| SCHEMBL4134718 | 0.74 | WHR1 (0.48) | KMT2AMEN1WHR1MAPK8MAPK9 | |
| SCHEMBL4151543 | 0.72 | EPHX1 (0.51) | KMT2AMEN1GAAMAPK1CDK1 | |
| SCHEMBL4134699 | 0.72 | L3MBTL1 (0.48) | KMT2AMEN1WHR1TACR3KDM4E | |
| SCHEMBL4134698 | 0.72 | KMT2A (0.47) | KMT2AMEN1MAPK8MAPK9MAPK10 | |
| SCHEMBL4135859 | 0.70 | TRPV1 (0.43) | KMT2AMEN1WHR1MAPK8MAPK9 | |
| SCHEMBL22144608 | 0.70 | NUDT1 (0.61) | KMT2AMEN1WHR1SCN9AKDM4E | |
| SCHEMBL15452474 | 0.70 | MEN1 (0.52) | KMT2AMEN1WHR1MAPK8MAPK9 | |
| SCHEMBL3715392 | 0.69 | HTT (0.55) | KMT2AMEN1GAASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134695-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | Exelixis, Inc. (US) | 2009-12-23 | — | — | EP | claimed |
| WO-2008112913-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2008-09-18 | — | — | WO | claimed |