Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 8/20 | 0.40 |
| ▸ | DRD2 | P14416 | 5/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20525428 | 0.93 | KDM4E (0.47) | HTR6DRD2KLKB1KLK1ADRA1D | |
| SCHEMBL20525329 | 0.91 | GHSR (0.43) | MAPTLMNATP53THRBALDH1A1 | |
| SCHEMBL20525472 | 0.90 | CYP3A4 (0.40) | MAPTLMNATP53THRBALDH1A1 | |
| SCHEMBL20525447 | 0.90 | HTR6 (0.41) | HTR6DRD2ALDH1A1 | |
| SCHEMBL20525448 | 0.87 | RPS6KB1 (0.41) | HTR6DRD2MAPTALDH1A1 | |
| SCHEMBL20525320 | 0.85 | POLB (0.36) | MAPTLMNA | |
| SCHEMBL20525423 | 0.85 | SCN9A (0.42) | HTR6DRD2ADRA1DDRD4DRD3 | |
| SCHEMBL20525450 | 0.84 | F12 (0.36) | HTR6DRD2 | |
| SCHEMBL18108982 | 0.83 | HDAC1 (0.49) | HDAC1KLKB1KLK1MAPTLMNA | |
| SCHEMBL18108917 | 0.81 | HDAC1 (0.60) | HDAC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3080125-B1 | NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-10-10 | — | — | EP | disclosed |