Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
| ▸ | MLNR | O43193 | 4/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20432803 | 0.89 | SIGMAR1 (0.48) | SIGMAR1PTGDR2MAOBALDH1A1GLA | |
| SCHEMBL17078997 | 0.89 | SIGMAR1 (0.47) | SIGMAR1PTGDR2MAOBHDAC1HDAC6 | |
| SCHEMBL17078964 | 0.89 | HDAC1 (0.59) | SIGMAR1PTGDR2MAOBHDAC1HDAC6 | |
| SCHEMBL20421164 | 0.88 | HDAC1 (0.58) | SIGMAR1PTGDR2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL20421155 | 0.87 | ALDH1A1 (0.57) | PTGDR2HDAC1HDAC6ALDH1A1GLA | |
| SCHEMBL20421092 | 0.86 | S1PR5 (0.55) | SIGMAR1PTGDR2NR4A2KMT2APTGER4 | |
| SCHEMBL20420942 | 0.85 | HDAC1 (0.60) | SIGMAR1MAOBHDAC1HDAC6NR4A2 | |
| SCHEMBL20421035 | 0.84 | CACNA1G (0.49) | HDAC1HDAC6DRD2DRD4PTGER4 | |
| SCHEMBL20421145 | 0.79 | PTGDR2 (0.54) | PTGDR2HDAC1HDAC6ALDH1A1GLA | |
| SCHEMBL20420925 | 0.79 | S1PR5 (0.45) | PTGDR2HDAC1HDAC6ALDH1A1KMT2A |
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 |