Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | RBP4 | P02753 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4779453 | 0.90 | NOTUM (0.46) | KDM4EALDH1A1ATMHSD11B1RBP4 | |
| SCHEMBL4778369 | 0.82 | NOTUM (0.40) | KDM4EALDH1A1KMT2ANOTUM | |
| SCHEMBL4776370 | 0.81 | CHRM4 (0.42) | — | |
| SCHEMBL4776176 | 0.79 | FFAR4 (0.40) | KMT2A | |
| SCHEMBL4780332 | 0.78 | CHRM4 (0.38) | KDM4EALDH1A1KMT2ANOTUMCYP2C9 | |
| SCHEMBL4780839 | 0.78 | SLC6A2 (0.44) | NOTUM | |
| SCHEMBL4780326 | 0.77 | CHRM4 (0.40) | KDM4EALDH1A1HTT | |
| SCHEMBL4778958 | 0.76 | ADRA1D (0.48) | ALDH1A1ADRA1DADRA1AADRA1BCYP2C19 | |
| SCHEMBL4780977 | 0.76 | ALOX15 (0.38) | ADRA1A | |
| SCHEMBL4779434 | 0.76 | ADRA1D (0.48) | ALDH1A1ADRA1DADRA1AADRA1BCYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008010061-A2 | 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION | GLENMARK PHARMACEUTICALS S.A. (US) | 2008-01-24 | — | — | WO | disclosed |