Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 5/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.35 |
| ▸ | XPO1 | O14980 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20518392 | 1.00 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18733653 | 1.00 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6996836 | 0.83 | CA12 (0.45) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18707266 | 0.81 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18733935 | 0.81 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18733899 | 0.81 | HDAC3 (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18707014 | 0.81 | HDAC3 (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16852894 | 0.79 | CA12 (0.49) | HTTLMNACYP3A4MAPT | |
| SCHEMBL6994919 | 0.77 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6994925 | 0.77 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3551620-A1 | 3-CARBOXYLIC ACID PYRROLES AS NRF2 REGULATORS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2019-10-16 | — | — | EP | disclosed |
| EP-3371167-A1 | ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2018-09-12 | — | — | EP | disclosed |
| WO-2018109641-A1 | 3-CARBOXYLIC ACID PYRROLES AS NRF2 REGULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-06-21 | — | — | WO | disclosed |
| WO-2017060854-A1 | BIARYL PYRAZOLES AS NRF2 REGULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-04-13 | — | — | WO | disclosed |
| WO-2017060855-A1 | ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-04-13 | — | — | WO | disclosed |