Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.67 |
| ▸ | GRM5 | P41594 | 14/20 | 0.57 |
| ▸ | CASP3 | P42574 | 1/20 | 0.54 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.54 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | PLAT | P00750 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30891570 | 1.00 | NR1H4 (0.67) | NR1H4GRM5CASP3SENP7SENP6 | |
| Hydrochloric Acid SCHEMBL1475140 | 0.99 | NR1H4 (0.65) | NR1H4GRM5CASP3SENP7SENP6 | |
| SCHEMBL19399259 | 0.90 | GRM5 (0.63) | GRM5CASP3SENP7SENP6CNR2 | |
| SCHEMBL192902 | 0.85 | GRM5 (0.56) | GRM5CASP3SENP7SENP6CNR2 | |
| SCHEMBL23410907 | 0.84 | CASP3 (0.76) | NR1H4GRM5CASP3SENP7SENP6 | |
| SCHEMBL8244818 | 0.84 | NR1H4 (0.67) | NR1H4GRM5CASP3SENP7SENP6 | |
| Hydrochloric Acid SCHEMBL193723 | 0.84 | GRM5 (0.55) | GRM5CASP3SENP7SENP6CNR2 | |
| SCHEMBL14153201 | 0.84 | GRM5 (0.57) | GRM5CASP3SENP7SENP6CNR2 | |
| SCHEMBL29871272 | 0.84 | NR1H4 (0.62) | NR1H4GRM5CASP3SENP7SENP6 | |
| SCHEMBL4414482 | 0.83 | NR1H4 (0.65) | NR1H4GRM5CNR2PLATCA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100389113-C | Nitrogen-containing heterocyclic compound and drug containing same | EISAI CO LTD (JP) | 2008-05-21 | — | — | CN | disclosed |
| CN-1630650-A | Nitrogen-containing heterocyclic compound and drug containing same | EISAI CO LTD (JP) | 2005-06-22 | — | — | CN | disclosed |