Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18690252 | 0.88 | HDAC6 (0.78) | HDAC1HDAC6MAOBSIGMAR1DRD2 | |
| SCHEMBL17078842 | 0.88 | HDAC1 (0.60) | HDAC1HDAC6MAOBKMT2AFAAH | |
| SCHEMBL20432843 | 0.88 | HDAC6 (0.78) | HDAC1HDAC6MAOBSIGMAR1DRD2 | |
| SCHEMBL17078803 | 0.88 | HDAC6 (0.78) | HDAC1HDAC6MAOBSIGMAR1DRD2 | |
| SCHEMBL20421057 | 0.88 | HDAC1 (0.60) | HDAC1HDAC6KMT2ADRD2ALDH1A1 | |
| SCHEMBL20420931 | 0.88 | HDAC1 (0.60) | HDAC1HDAC6KMT2ADRD2ALDH1A1 | |
| SCHEMBL20420981 | 0.88 | HDAC1 (0.60) | HDAC1HDAC6KMT2ADRD2ALDH1A1 | |
| SCHEMBL20421016 | 0.87 | HDAC1 (0.61) | HDAC1HDAC6KMT2ASIGMAR1ALDH1A1 | |
| SCHEMBL20420986 | 0.87 | HDAC1 (0.78) | HDAC1HDAC6KMT2APTGER4FAAH | |
| SCHEMBL20421143 | 0.85 | S1PR5 (0.58) | HDAC1HDAC6KMT2APTGER4PTGER2 |
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-3116859-B1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-08-01 | — | — | EP | disclosed |