Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28091302 | 0.79 | TRPA1 (0.39) | SLC6A2SLC6A4SMN1; SMN2CYP1A2CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL28227262 | 0.78 | TRPA1 (0.38) | SLC6A2SLC6A4SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL10911286 | 0.75 | SIGMAR1 (0.42) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10909170 | 0.75 | MAOA (0.50) | SIGMAR1SLC6A2SLC6A4SLC6A3SMN1; SMN2 | |
| SCHEMBL6330057 | 0.75 | KCNH2 (0.46) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7799312 | 0.75 | KCNH2 (0.46) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3959636 | 0.75 | KCNH2 (0.46) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9964584 | 0.75 | KCNH2 (0.46) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10909185 | 0.73 | SLC6A2 (0.55) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27568690 | 0.72 | IDO1 (0.43) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 |
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-105622501-A | N-aryl-3-iodoquinoline derivative and preparation method thereof | WANNAN MEDICAL COLLEGE | 2016-06-01 | — | — | CN | claimed |
| CN-105622501-A | N-aryl-3-iodoquinoline derivative and preparation method thereof | WANNAN MEDICAL COLLEGE | 2016-06-01 | — | — | CN | disclosed |