Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 5/20 | 0.33 |
| ▸ | RARA | P10276 | 2/20 | 0.32 |
| ▸ | RARB | P10826 | 2/20 | 0.32 |
| ▸ | RARG | P13631 | 2/20 | 0.32 |
| ▸ | RXRB | P28702 | 2/20 | 0.32 |
| ▸ | RXRG | P48443 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3170254 | 0.86 | RXRA (0.44) | RXRARARARARBRARGRXRB | |
| SCHEMBL15416300 | 0.85 | RXRA (0.37) | RXRARARARARBRARG | |
| SCHEMBL6027545 | 0.77 | RXRA (0.32) | BCHECES1RXRARXRBRXRG | |
| SCHEMBL17283104 | 0.76 | KDM1A (0.35) | RXRARARARARBRARGKCNH2 | |
| SCHEMBL15415473 | 0.76 | POLB (0.33) | RXRAMEN1RECQLBLMKMT2A | |
| SCHEMBL6449285 | 0.75 | BCHE (0.38) | BCHECES1RXRARARARARB | |
| SCHEMBL13717001 | 0.75 | BCHE (0.38) | BCHECES1RXRARARARARB | |
| SCHEMBL4711277 | 0.74 | BCHE (0.38) | BCHECES1POLBL3MBTL1 | |
| SCHEMBL18015524 | 0.74 | RXRA (0.32) | RXRA | |
| SCHEMBL4710156 | 0.74 | RARG (0.35) | BCHECES1RXRARARG |
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-3069392-B1 | COMPOUND WITH NOVEL SIX-MEMBERED RING STRUCTURE FOR USE IN ORGANIC ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2019-08-07 | — | — | EP | disclosed |