Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.40 |
| ▸ | GHSR | Q92847 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20525329 | 0.96 | GHSR (0.43) | CYP3A4GHSRCYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL20525353 | 0.90 | HDAC1 (0.41) | ALDH1A1MAPTLMNATP53THRB | |
| SCHEMBL20525408 | 0.87 | FAAH (0.38) | CYP3A4CYP2D6JAK2JAK1OPRM1 | |
| SCHEMBL20525344 | 0.85 | DRD2 (0.33) | MEN1 | |
| SCHEMBL16804473 | 0.84 | CYP3A4 (0.47) | CYP3A4GHSRCYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL16804054 | 0.83 | HDAC1 (0.49) | CYP3A4GHSRCYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL20525428 | 0.83 | KDM4E (0.47) | ALDH1A1JAK1MEN1KMT2A | |
| SCHEMBL20525382 | 0.83 | CYP1A2 (0.38) | CYP3A4CYP2C9CYP2D6ALDH1A1JAK2 | |
| SCHEMBL20525320 | 0.82 | POLB (0.36) | JAK2JAK1OPRK1MAPTLMNA | |
| SCHEMBL18125641 | 0.80 | GHSR (0.47) | CYP3A4GHSRCYP2C9CYP2D6ALDH1A1 |
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 |