Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPAS1 | Q99814 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GCK | P35557 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | KRAS | P01116 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1992255 | 0.85 | ERN1 (0.40) | ERN1CES2CES1KRAS | |
| SCHEMBL16545836 | 0.76 | KMT2A (0.40) | ERN1 | |
| SCHEMBL589662 | 0.72 | KRAS (0.39) | EPAS1HTTGCKKRAS | |
| SCHEMBL10209572 | 0.72 | ALDH1A1 (0.30) | CYP2A6 | |
| SCHEMBL28873828 | 0.72 | DYRK1A (0.38) | HTT | |
| SCHEMBL6442207 | 0.72 | ALB (0.52) | CES2CES1 | |
| SCHEMBL24207668 | 0.72 | RAB9A (0.34) | ERN1HTTGCK | |
| SCHEMBL21369287 | 0.72 | HPGD (0.35) | HTT | |
| SCHEMBL25181496 | 0.71 | CA1 (0.37) | — | |
| SCHEMBL1997466 | 0.70 | CES2 (0.38) | ERN1CES2CES1 |
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-103958504-B | 10A type phosphodiesterase inhibitor compound | 艾伯维德国有限责任两合公司 | 2016-10-12 | — | — | CN | disclosed |