Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | UNG | P13051 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1109066 | 0.82 | CYP2A6 (0.48) | ALDH1A1CYP2A6HSD17B10CYP3A4TSHR | |
| Benzaldehyde SCHEMBL8148389 | 0.82 | ALDH1A1 (0.88) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Benzaldehyde SCHEMBL8156176 | 0.82 | — | — | |
| Benzaldehyde SCHEMBL27460636 | 0.82 | ALDH1A1 (0.88) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Benzaldehyde SCHEMBL896024 | 0.82 | ALDH1A1 (1.00) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Nitrosobenzene SCHEMBL103117 | 0.82 | — | — | |
| Nitrosobenzene SCHEMBL3176061 | 0.82 | — | — | |
| Benzaldehyde SCHEMBL10051945 | 0.82 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.82 | ALDH1A1 (1.00) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Benzaldehyde SCHEMBL9236967 | 0.82 | — | — |
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-109734666-A | A kind of carbon dioxide promotes and synthesizes indazole quinoline ketone compounds preparation method without photochemical catalyst photoinduction | 湖南大学 | 2019-05-10 | — | — | CN | disclosed |