Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.50 |
| ▸ | APP | P05067 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.50 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.50 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.50 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.50 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.50 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28083366 | 0.88 | HDAC4 (0.42) | AKR1C3AKR1C2APPCYP2C19CYP3A4 | |
| SCHEMBL20242254 | 0.81 | HDAC4 (0.60) | AKR1C3AKR1C2APPCYP2C19CYP3A4 | |
| SCHEMBL31294736 | 0.77 | AKR1C1 (0.45) | AKR1C3AKR1C2APPCYP2C19CYP3A4 | |
| SCHEMBL20242053 | 0.77 | AKR1C3 (0.45) | AKR1C3AKR1C2APPCYP2C19CYP3A4 | |
| SCHEMBL31759482 | 0.77 | AKR1C3 (0.53) | AKR1C3AKR1C2APPCYP2C19CYP3A4 | |
| SCHEMBL3373867 | 0.75 | HDAC4 (0.70) | AKR1C3AKR1C2APPCYP2C19CYP3A4 | |
| SCHEMBL9314481 | 0.74 | AKR1C1 (0.45) | AKR1C3AKR1C2APPCYP2C19CYP3A4 | |
| SCHEMBL4813224 | 0.73 | HDAC4 (0.68) | AKR1C3AKR1C2APPCYP2C19CYP3A4 | |
| SCHEMBL31759329 | 0.72 | APP (0.69) | AKR1C3AKR1C2APPCYP2C19CYP3A4 | |
| SCHEMBL2794766 | 0.72 | AKR1C3 (0.64) | AKR1C3AKR1C2APPCYP2C19CYP3A4 |
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-105712992-A | Compound serving as cMet inhibitor and preparation method and application of compound | 上海科州药物研发有限公司 | 2016-06-29 | — | — | CN | disclosed |