Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.48 |
| ▸ | IL1B | P01584 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19865665 | 0.93 | TDO2 (0.54) | TDO2CHRM1CHRM3CHRM2CHRM5 | |
| SCHEMBL19865633 | 0.93 | TDO2 (0.54) | TDO2CHRM1CHRM3CHRM2CHRM5 | |
| SCHEMBL20069366 | 0.93 | TDO2 (0.54) | TDO2CHRM1CHRM3CHRM2CHRM5 | |
| SCHEMBL20147962 | 0.85 | TDO2 (0.61) | TDO2TLR7HRH3 | |
| SCHEMBL16382664 | 0.85 | TDO2 (0.45) | TDO2TLR7 | |
| SCHEMBL1926965 | 0.83 | IL1B (0.43) | TDO2IL1BNLRP3CHRM1CHRM3 | |
| SCHEMBL20145059 | 0.83 | L3MBTL1 (0.49) | IL1BNLRP3CHRM1CHRM3CHRM2 | |
| SCHEMBL20144750 | 0.83 | IL1B (0.55) | IL1BNLRP3 | |
| SCHEMBL20145221 | 0.83 | IL1B (0.55) | IL1BNLRP3 | |
| SCHEMBL19641554 | 0.80 | TDO2 (0.45) | TDO2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970207-B1 | SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-16 | — | — | EP | disclosed |