Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL16905987 | 0.90 | L3MBTL1 (0.46) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL16905954 | 0.89 | HDAC1 (0.40) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL18326359 | 0.89 | CPT1A (0.41) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL18326360 | 0.89 | HDAC6 (0.42) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL18326361 | 0.86 | SCN9A (0.39) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL16905984 | 0.84 | BRD4 (0.54) | BRD4TSHRALDH1A1MAPTRXFP1 | |
| SCHEMBL18326362 | 0.81 | L3MBTL1 (0.46) | BRD4TSHRCYP3A4CYP2C19POLB | |
| SCHEMBL16905973 | 0.79 | L3MBTL1 (0.46) | TSHRCYP3A4CYP2C19POLBMAPT | |
| SCHEMBL16906045 | 0.78 | L3MBTL1 (0.49) | BRD4ALDH1A1POLBMAPTRXFP1 | |
| SCHEMBL16905970 | 0.77 | TP53 (0.47) | TSHRHTTCYP3A4CYP2C19ALDH1A1 |
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-3092227-B1 | BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS | ORION CORP (FI) | 2018-07-11 | — | — | EP | disclosed |