Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 6/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12510871 | 0.88 | EPHX1 (0.44) | EPHX1SLC6A4NOS1MAOASLC6A2 | |
| SCHEMBL22199599 | 0.82 | ALDH1A1 (0.44) | LOXL2EPHX1NOS1MAOA | |
| SCHEMBL13169184 | 0.79 | IDO1 (0.47) | EPHX1TAAR1 | |
| SCHEMBL21186074 | 0.79 | EPHX1 (0.39) | EPHX1SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL23709622 | 0.77 | SLC6A2 (0.48) | SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL20666019 | 0.77 | IDO1 (0.45) | LOXL2EPHX1TAAR1MAOA | |
| SCHEMBL12885481 | 0.77 | IDO1 (0.47) | EPHX1 | |
| SCHEMBL560907 | 0.76 | PPARG (0.45) | TAAR1SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL6571608 | 0.74 | SLC6A4 (0.52) | EPHX1TAAR1SLC6A4MAOA | |
| SCHEMBL13560707 | 0.73 | HRH3 (0.50) | HRH3LOXL2ABATF10TAAR1 |
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-104788378-B | The chlorine pyrazole derivative compounds of 3 ethyl of N methyl 4 | 湖南海利化工股份有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-104788378-A | N-methyl-3-ethyl-4-hlorine pyrrole derivative compound | HUNAN HAILI CHEMICAL INDUSTRY CO LTD | 2015-07-22 | — | — | CN | disclosed |