Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.59 |
| ▸ | PARP1 | P09874 | 7/20 | 0.56 |
| ▸ | GPX4 | P36969 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8360527 | 1.00 | HDAC8 (0.59) | HDAC8PARP1GPX4GRIN2BTRPV1 | |
| SCHEMBL8360522 | 0.93 | HDAC8 (0.57) | HDAC8PARP1GPX4TRPV1 | |
| SCHEMBL8359708 | 0.92 | PARP1 (0.60) | HDAC8PARP1 | |
| SCHEMBL8359478 | 0.92 | PARP1 (0.60) | HDAC8PARP1 | |
| SCHEMBL8359466 | 0.84 | PARP1 (0.66) | HDAC8PARP1 | |
| SCHEMBL8360529 | 0.81 | PARP1 (0.51) | HDAC8PARP1GPX4TRPV1 | |
| SCHEMBL8360524 | 0.80 | PARP1 (0.58) | PARP1GPX4TRPV1 | |
| SCHEMBL8360520 | 0.76 | PARP1 (0.71) | PARP1GPX4TRPV1 | |
| SCHEMBL5367984 | 0.75 | PARP1 (0.66) | PARP1GPX4TRPV1 | |
| SCHEMBL30023116 | 0.75 | PARP1 (0.66) | PARP1GPX4TRPV1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7247641-B2 | Compounds, derivatives, compositions, preparation and uses | MGI GP, INC. (US) | 2007-07-24 | — | — | US | disclosed |
| US-7247641-B2 | Compounds, derivatives, compositions, preparation and uses | MGI GP, INC. (US) | 2007-07-24 | — | — | US | disclosed |
| WO-2003014121-A9 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARM INC (US) | 2004-03-25 | — | — | WO | disclosed |
| WO-2003014121-A1 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARMACEUTICALS INC. (US) | 2003-02-20 | — | — | WO | disclosed |