Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7947978 | 0.97 | — | — | |
| SCHEMBL3563862 | 0.97 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL5829989 | 0.97 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL67348 | 0.94 | — | — | |
| Iodide SCHEMBL7953647 | 0.91 | — | — | |
| SCHEMBL9161372 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL5076752 | 0.91 | — | — | |
| SCHEMBL30419542 | 0.91 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL22472034 | 0.91 | — | — | |
| Bromide SCHEMBL3712596 | 0.91 | — | — |
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-109796417-A | A series of structure of quinokysalines derivatives, Preparation method and use | 北京理工大学 | 2019-05-24 | — | — | CN | disclosed |
| CN-109793739-A | A kind of structure of quinokysalines derivative, Preparation method and use | 北京理工大学 | 2019-05-24 | — | — | CN | disclosed |