Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NAAA | Q02083 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10068066 | 1.00 | NR1H2 (0.41) | NR1H2NR1H3PTGS2PRKDCATM | |
| SCHEMBL10068054 | 0.79 | GPR119 (0.51) | — | |
| SCHEMBL10067699 | 0.77 | NR1H2 (0.40) | NR1H2PTGS2 | |
| SCHEMBL903891 | 0.76 | GPR119 (0.47) | PTGS2 | |
| SCHEMBL904082 | 0.76 | GPR119 (0.47) | PTGS2 | |
| SCHEMBL10068053 | 0.75 | HRH3 (0.39) | PTGS2NAAA | |
| SCHEMBL10068069 | 0.74 | GPR119 (0.45) | PTGS2 | |
| SCHEMBL10067702 | 0.74 | GPR119 (0.45) | PTGS2 | |
| SCHEMBL903884 | 0.73 | KIF11 (0.41) | PTGS2 | |
| SCHEMBL903936 | 0.71 | GPR119 (0.48) | — |
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-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |