Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL8890469 | 0.82 | FFAR4 (0.39) | THRATHRBFFAR4EPHX2PIM1 | |
| SCHEMBL27837804 | 0.81 | HSP90AB1 (0.60) | POLBHSP90AB1HDAC3HDAC1HDAC2 | |
| SCHEMBL28175829 | 0.81 | PDE2A (0.43) | FFAR4POLBHSP90AB1HDAC3HDAC1 | |
| SCHEMBL27719541 | 0.79 | THRB (0.45) | THRATHRBPOLBHSP90AB1HDAC3 | |
| SCHEMBL12780426 | 0.78 | FFAR4 (0.44) | FFAR4POLBHDAC3HDAC1HDAC2 | |
| SCHEMBL28783326 | 0.78 | HMGCR (0.45) | POLBHSP90AB1HDAC3HDAC1HDAC2 | |
| SCHEMBL27986113 | 0.73 | MAPT (0.47) | FFAR4EPHX2KDM4EGAAKMT2A | |
| SCHEMBL9733649 | 0.72 | HSP90AB1 (0.43) | THRATHRBPOLBHSP90AB1HDAC3 | |
| SCHEMBL6141283 | 0.72 | HDAC3 (0.54) | POLBHRH3HDAC3HDAC1HDAC2 | |
| SCHEMBL9607399 | 0.71 | BCL2L1 (0.41) | POLBHRH3EPHX2EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104245698-B | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-11-30 | — | — | CN | disclosed |