Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL11747920 | 0.75 | CES1 (0.36) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL11747912 | 0.75 | CES1 (0.36) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL1127389 | 0.75 | HDAC3 (0.40) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL10460628 | 0.71 | NPSR1 (0.48) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL10460626 | 0.71 | NPSR1 (0.48) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL1946474 | 0.70 | — | — | |
| SCHEMBL22415892 | 0.66 | POLB (0.39) | — | |
| SCHEMBL5580425 | 0.65 | — | — | |
| SCHEMBL5580423 | 0.65 | — | — | |
| SCHEMBL19465021 | 0.65 | — | — |
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-3180315-B1 | PYRAZOLES | JANSSEN PHARMACEUTICALS INC (US) | 2020-03-18 | — | — | EP | disclosed |