Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PSMB5 | P28074 | 4/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 3/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30529323 | 0.77 | ACVR1 (0.50) | KDM4EMAPTPSMB5PSMB1NPSR1 | |
| SCHEMBL1623538 | 0.77 | ACVR1 (0.50) | KDM4EMAPTPSMB5PSMB1NPSR1 | |
| SCHEMBL3253195 | 0.76 | KDM4E (0.50) | KDM4EMEN1KMT2A | |
| SCHEMBL15226076 | 0.75 | RPS6KA5 (0.52) | — | |
| SCHEMBL3402123 | 0.73 | PSMB5 (0.53) | KDM4EMAPTPSMB5PSMB1PDE4A | |
| SCHEMBL9910063 | 0.73 | MAPT (0.44) | KDM4EMAPTPSMB5PSMB1NPSR1 | |
| SCHEMBL12702856 | 0.73 | PSMB5 (0.53) | KDM4EMAPTPSMB5PSMB1NPSR1 | |
| SCHEMBL18885926 | 0.72 | PSMB5 (0.57) | KDM4EMAPTPSMB5PSMB1ALDH1A1 | |
| SCHEMBL349351 | 0.72 | KDM4E (0.44) | KDM4EMAPTPDE4APDE4BPDE4C | |
| SCHEMBL2696574 | 0.71 | PSMB5 (0.59) | PSMB5PSMB1NPSR1PDE4AMEN1 |
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-2044065-A2 | COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS | IRM, LLC (BM) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008014291-A2 | COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS | IRM LLC (BM) | 2008-01-31 | — | — | WO | disclosed |