Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 6/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13799428 | 0.81 | ALDH1A1 (0.50) | CYP1A2CA12CA1CA4CA6 | |
| SCHEMBL14838384 | 0.80 | CYP2A6 (0.56) | CA12CA1CA6CA5ACA7 | |
| SCHEMBL10171828 | 0.77 | CYP1A2 (0.46) | CYP1A2CA12CA1CA4CA6 | |
| SCHEMBL9827175 | 0.76 | CA12 (0.45) | CYP1A2CA12CA1CA4CA6 | |
| SCHEMBL17401003 | 0.76 | KDM4E (0.49) | CYP1A2CA12CA1CA4CA6 | |
| SCHEMBL9827183 | 0.76 | CYP1A2 (0.45) | CYP1A2CA12CA1CA4CA6 | |
| SCHEMBL11036182 | 0.75 | CA9 (0.79) | CYP1A2CA12CA1CA4CA6 | |
| SCHEMBL29629327 | 0.74 | NQO1 (0.68) | CYP1A2CA12CA1CA4CA6 | |
| SCHEMBL3825385 | 0.74 | NQO1 (0.68) | CYP1A2CA12CA1CA4CA6 | |
| SCHEMBL29994768 | 0.74 | ALDH1A1 (0.55) | CYP1A2CA12CA1CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016000599-A1 | C-BENZO FIVE-MEMBERED HETEROAROMATIC RING ARYL GLUCOSIDE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海阳帆医药科技有限公司 | 2016-01-07 | — | — | WO | disclosed |