Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28028923 | 0.82 | LMNA (0.50) | PDE10AALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL28167249 | 0.82 | PDE10A (0.47) | PDE10AALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL28028924 | 0.82 | PDE10A (0.47) | PDE10AALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL10688488 | 0.77 | LMNA (0.54) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL10615047 | 0.76 | PDE10A (0.56) | PDE10AALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL10546449 | 0.76 | LMNA (0.52) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL21939757 | 0.76 | LMNA (0.52) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL10548249 | 0.76 | LMNA (0.52) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL28028248 | 0.74 | PDE10A (0.57) | PDE10AALDH1A1MAPTSMN1; SMN2KDM4E | |
| Phenanthroline SCHEMBL8685400 | 0.73 | MAPT (0.70) | PDE10AALDH1A1MAPTSMN1; SMN2KDM4E |
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-104860880-B | The method of one kind 8 (nitromethyla) quinolines of synthesis | 浙江工业大学 | 2017-07-28 | — | — | CN | disclosed |