Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ADH5 | P11766 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL11247954 | 0.88 | HDAC3 (0.35) | HDAC3HDAC7HDAC10HDAC6ACHE | |
| SCHEMBL11259416 | 0.87 | HDAC6 (0.34) | HDAC3HDAC7HDAC10HDAC6ACHE | |
| SCHEMBL11246007 | 0.86 | CHEK2 (0.35) | HDAC3HDAC7HDAC10HDAC6ACHE | |
| SCHEMBL11253005 | 0.84 | NOTUM (0.53) | HDAC3HDAC7HDAC10HDAC6NOTUM | |
| SCHEMBL11257669 | 0.80 | CES1 (0.40) | HDAC6PARP1CHEK2CES1 | |
| SCHEMBL11246933 | 0.79 | PTGES (0.43) | HDAC3HDAC7HDAC10HDAC6GPR35 | |
| SCHEMBL11250776 | 0.78 | ABCC8 (0.44) | HDAC3HDAC7HDAC10HDAC6PTGES | |
| SCHEMBL11258445 | 0.75 | ABCC8 (0.36) | HDAC3HDAC7HDAC10HDAC6PTGES | |
| SCHEMBL11262992 | 0.75 | AKR1C3 (0.33) | HDAC3HDAC7HDAC10HDAC6PARP1 | |
| SCHEMBL11251598 | 0.75 | CES1 (0.31) | ACHECES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4314844-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1982-02-09 | — | — | US | disclosed |