Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 11/20 | 0.35 |
| ▸ | CDK9 | P50750 | 11/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.35 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.34 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20373749 | 0.87 | SCN9A (0.36) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL18326360 | 0.85 | HDAC6 (0.42) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL16896901 | 0.83 | BRD4 (0.42) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL20373353 | 0.77 | HDAC1 (0.40) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL16905954 | 0.76 | HDAC1 (0.40) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL20373769 | 0.75 | FGFR1 (0.36) | BRD4CCNT1CDK9ALDH1A1CYP1A2 | |
| SCHEMBL16905987 | 0.75 | L3MBTL1 (0.46) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL18326359 | 0.74 | CPT1A (0.41) | HDAC1HDAC8HDAC6HDAC5BRD4 | |
| SCHEMBL18317132 | 0.73 | BRD4 (0.41) | BRD4L3MBTL1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL16896867 | 0.72 | BRD4 (0.41) | BRD4CYP3A4 |
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 |