Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 3/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | TOP1 | P11387 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27550545 | 0.88 | TNF (0.58) | TNFALDH1A1CYP2A6NPC1PIK3CA | |
| SCHEMBL14740148 | 0.87 | TNF (1.00) | TNFALDH1A1MAPK10NPC1KDM4E | |
| SCHEMBL30933417 | 0.87 | TNF (1.00) | TNFALDH1A1MAPK10NPC1KDM4E | |
| Quinoline SCHEMBL28089647 | 0.82 | CYP3A4 (0.54) | TNFALDH1A1NPC1TOP1KDM4E | |
| Quinoline SCHEMBL28895783 | 0.81 | ALDH1A1 (0.71) | TNFALDH1A1CYP2A6NPC1TOP1 | |
| Quinoline SCHEMBL29173271 | 0.80 | CYP3A4 (0.59) | TNFALDH1A1MAPK10CYP2A6NPC1 | |
| SCHEMBL15835315 | 0.79 | TNF (0.77) | TNFALDH1A1CYP2A6KDM4EMAPT | |
| SCHEMBL27976477 | 0.79 | TNF (0.82) | TNFALDH1A1MAPK10NPC1PIK3CA | |
| SCHEMBL16483488 | 0.78 | TNF (0.52) | TNFMAPK10PIK3CACYP3A4CA12 | |
| SCHEMBL16483498 | 0.77 | TNF (0.51) | TNFMAPK10CYP2A6NPC1PIK3CA |
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-110475773-A | 8- phenyl isoquinolin quinoline and its medical composition are for treating irritable bowel syndrome | YU LINDA CHIA HUI | 2019-11-19 | — | — | CN | disclosed |
| CN-110475773-A | 8- phenyl isoquinolin quinoline and its medical composition are for treating irritable bowel syndrome | YU LINDA CHIA HUI | 2019-11-19 | — | — | CN | disclosed |