Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GOT1 | P17174 | 1/20 | 0.31 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL2129775 | 0.82 | ALDH1A1 (0.52) | CYP1A2ALDH1A1CTDSP1HRH1CHRM1 | |
| SCHEMBL6131012 | 0.80 | CYP1A2 (0.40) | CYP1A2ALDH1A1CTDSP1HRH1CHRM1 | |
| SCHEMBL3076036 | 0.79 | CYP1A2 (0.47) | CYP1A2ALDH1A1CTDSP1HRH1CHRM1 | |
| SCHEMBL29349000 | 0.77 | ESR1 (0.48) | CYP1A2ALDH1A1CTDSP1L3MBTL1 | |
| SCHEMBL27451530 | 0.74 | L3MBTL1 (0.59) | CYP1A2ALDH1A1HRH1L3MBTL1CYP2D6 | |
| SCHEMBL19414180 | 0.73 | CTDSP1 (0.42) | CYP1A2CTDSP1HRH1CHRM1L3MBTL1 | |
| SCHEMBL7208861 | 0.73 | KCNH2 (0.42) | CYP1A2ALDH1A1CTDSP1VNN1CYP2D6 | |
| SCHEMBL28174339 | 0.73 | LTA4H (0.52) | ALDH1A1CYP2D6 | |
| SCHEMBL5407176 | 0.73 | CYP1A2 (0.43) | CYP1A2ALDH1A1CTDSP1HRH1CHRM1 | |
| Hydrazine SCHEMBL11630131 | 0.70 | LTA4H (0.49) | ALDH1A1CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105358552-B | aryl-quinazoline | 默克专利股份公司 | 2018-04-27 | — | — | CN | claimed |