Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 2/20 | 0.38 |
| ▸ | EED | O75530 | 1/20 | 0.37 |
| ▸ | DCAF15 | Q66K64 | 1/20 | 0.37 |
| ▸ | LOX | P28300 | 1/20 | 0.37 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28771076 | 0.80 | SIGMAR1 (0.55) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL5584213 | 0.75 | SIGMAR1 (0.62) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL19258496 | 0.73 | SIGMAR1 (0.43) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL725564 | 0.72 | SIGMAR1 (1.00) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL9203668 | 0.71 | SIGMAR1 (0.62) | SIGMAR1CA1CA2CA4CA7 | |
| Bromide SCHEMBL4392392 | 0.71 | SIGMAR1 (1.00) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL5121302 | 0.71 | CA1 (0.66) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL28851962 | 0.70 | SIGMAR1 (0.56) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL3564802 | 0.70 | SIGMAR1 (0.56) | SIGMAR1CA1CA2CA4CA7 | |
| Hydrochloric Acid SCHEMBL1697524 | 0.69 | CA1 (0.64) | SIGMAR1CA1CA2CA4CA7 |
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-114989137-B | Chiral imine-containing quinoline imidazoline compound and metal complex thereof, preparation method and application | 浙江大学 | 2024-03-01 | — | — | CN | disclosed |
| CN-114989137-A | Chiral quinoline imidazoline compound containing imine, metal complex thereof, preparation method and application | 浙江大学 | 2022-09-02 | — | — | CN | disclosed |