Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10659662 | 0.80 | POLB (0.56) | CYP3A4RAB9ATSHRPOLBNR4A1 | |
| SCHEMBL7106301 | 0.79 | ALDH1A1 (0.54) | POLBMEN1KMT2AGAAALDH1A1 | |
| SCHEMBL11308861 | 0.79 | CYP3A4 (0.73) | CYP3A4RAB9ATSHRPOLBNR4A1 | |
| SCHEMBL10346401 | 0.77 | CYP3A4 (0.53) | CYP3A4RAB9ATSHRPOLBNR4A1 | |
| SCHEMBL6262103 | 0.77 | POLB (0.56) | CYP3A4RAB9ATSHRPOLBNR4A1 | |
| SCHEMBL9645123 | 0.77 | CYP3A4 (0.56) | CYP3A4RAB9ATSHRPOLBNR4A1 | |
| SCHEMBL27509968 | 0.76 | CA12 (0.45) | GAAALDH1A1CA12CA1CA9 | |
| SCHEMBL11691760 | 0.75 | CYP3A4 (0.73) | CYP3A4RAB9ATSHRPOLBNR4A1 | |
| SCHEMBL8912707 | 0.75 | CTDSP1 (0.56) | CYP3A4RAB9ATSHRPOLBNR4A1 | |
| SCHEMBL27586537 | 0.75 | KCNK3 (0.56) | RAB9APOLBMEN1KMT2AGAA |
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-108690043-B | Quinoline derivatives and its preparation method and application | 东莞东阳光科研发有限公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-108690043-A | Quinoline derivatives and its preparation method and application | 东莞东阳光科研发有限公司 | 2018-10-23 | — | — | CN | disclosed |