Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10038879 | 1.00 | IDO1 (0.41) | IDO1CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL3847991 | 0.90 | MAOB (0.48) | IDO1ALDH1A1MAOBMAOAHTR2A | |
| SCHEMBL15527347 | 0.90 | MAOB (0.48) | IDO1ALDH1A1MAOBMAOAHTR2A | |
| SCHEMBL5134572 | 0.86 | MAOA (0.51) | KDM4EALDH1A1RAB9AMAPTMAOB | |
| SCHEMBL5134571 | 0.86 | MAOA (0.51) | KDM4EALDH1A1RAB9AMAPTMAOB | |
| SCHEMBL13727384 | 0.80 | EPHX2 (0.37) | IDO1KDM4ERAB9AGRIK1GRIK2 | |
| SCHEMBL7106133 | 0.77 | APP (0.50) | IDO1CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL3851041 | 0.77 | AHR (0.46) | IDO1ALDH1A1GRIK1GRIK2MAPT | |
| SCHEMBL7106127 | 0.77 | APP (0.50) | IDO1CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL10602496 | 0.77 | AHR (0.46) | IDO1ALDH1A1GRIK1GRIK2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-106496124-A | A kind of preparation method of pyrazole compound | 陕西师范大学 | 2017-03-15 | — | — | CN | disclosed |