Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL611603 | 0.77 | TSHR (0.42) | TSHRALDH1A1PTPN1CYP2C19CYP1A2 | |
| SCHEMBL16428437 | 0.76 | TSHR (0.46) | TSHRALDH1A1PTPN1CYP2C19CYP1A2 | |
| SCHEMBL18133808 | 0.75 | TSHR (0.43) | TSHRALDH1A1PTPN1CYP2C19CYP1A2 | |
| SCHEMBL29211084 | 0.75 | TSHR (0.43) | TSHRALDH1A1PTPN1CYP2C19CYP1A2 | |
| SCHEMBL362964 | 0.75 | TSHR (0.43) | TSHRALDH1A1PTPN1CYP2C19CYP1A2 | |
| SCHEMBL16550589 | 0.75 | TSHR (0.43) | TSHRALDH1A1PTPN1CYP2C19CYP1A2 | |
| SCHEMBL4259159 | 0.75 | TSHR (0.50) | TSHRALDH1A1PTPN1CYP1A2CA1 | |
| SCHEMBL7032980 | 0.74 | ALDH1A1 (0.56) | TSHRALDH1A1PTPN1CYP19A1RAB9A | |
| SCHEMBL27936818 | 0.73 | TSHR (0.42) | TSHRALDH1A1PTPN1CYP2C19CYP1A2 | |
| SCHEMBL28689374 | 0.71 | TSHR (0.40) | TSHRALDH1A1PTPN1CYP2C19CYP1A2 |
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 |