Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Indene SCHEMBL27887053 | 0.96 | CYP2D6 (0.50) | CYP2D6CYP2C19CA1CA2NOTUM | |
| Indene SCHEMBL89373 | 0.94 | CYP2D6 (0.51) | CYP2D6CYP2C19CA1CA2NOTUM | |
| Indene SCHEMBL29746662 | 0.94 | CYP2D6 (0.51) | CYP2D6CYP2C19CA1CA2NOTUM | |
| Indene SCHEMBL28769797 | 0.92 | CYP2D6 (0.50) | CYP2D6CYP2C19CA1CA2NOTUM | |
| Indene SCHEMBL30959780 | 0.89 | CA2 (0.47) | CYP2D6CYP2C19CA1CA2NOTUM | |
| Indene SCHEMBL6700608 | 0.89 | CA2 (0.47) | CYP2D6CYP2C19CA1CA2NOTUM | |
| Indene SCHEMBL28216169 | 0.89 | CA1 (0.50) | CYP2D6CYP2C19CA1CA2NOTUM | |
| Indene SCHEMBL28841652 | 0.88 | CYP2D6 (0.56) | CYP2D6CYP2C19CA1CA2NOTUM | |
| Indene SCHEMBL28692932 | 0.88 | CYP2D6 (0.56) | CYP2D6CYP2C19CA1CA2NOTUM | |
| Indene SCHEMBL27519171 | 0.88 | CA1 (0.46) | CYP2D6CYP2C19CA1CA2NOTUM |
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-109369667-A | 2,3,6- tri- deoxidation glycosyl demethylated podophyllotoxin compounds and its preparation method and application | 南通大学 | 2019-02-22 | — | — | CN | claimed |