Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17059117 | 1.00 | SMN1; SMN2 (0.38) | SMN1; SMN2CES2CES1HTTKMT2A | |
| SCHEMBL9810358 | 0.91 | — | — | |
| SCHEMBL444161 | 0.82 | SMN1; SMN2 (0.40) | SMN1; SMN2CES2CES1HTTKMT2A | |
| SCHEMBL1441061 | 0.80 | CES2 (0.44) | SMN1; SMN2CES2CES1HTTKMT2A | |
| SCHEMBL63153 | 0.80 | CES2 (0.44) | SMN1; SMN2CES2CES1HTTKMT2A | |
| SCHEMBL8691433 | 0.77 | — | — | |
| SCHEMBL19261999 | 0.76 | SMN1; SMN2 (0.42) | SMN1; SMN2CES2CES1HTTKMT2A | |
| SCHEMBL27530748 | 0.75 | CES2 (0.42) | SMN1; SMN2CES2CES1HTTKMT2A | |
| SCHEMBL31159671 | 0.74 | CES2 (0.38) | SMN1; SMN2CES2CES1HTTKMT2A | |
| SCHEMBL6881837 | 0.73 | CES2 (0.46) | SMN1; SMN2CES2CES1HTTKMT2A |
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-104703991-B | Macrocyclic Inhibitors of Flaviviridae Viruses | 吉利德科学公司 | 2018-03-23 | — | — | CN | disclosed |