Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.61 |
| ▸ | GSK3B | P49841 | 2/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11043618 | 0.92 | HDAC8 (0.67) | HDAC1HDAC8GSK3BHDAC3HDAC4 | |
| SCHEMBL6975979 | 0.88 | GSK3B (0.59) | HDAC1HDAC8GSK3BHDAC3HDAC4 | |
| SCHEMBL133319 | 0.87 | HDAC1 (0.75) | HDAC1HDAC8GSK3BHDAC3HDAC4 | |
| SCHEMBL241664 | 0.83 | GSK3B (0.70) | HDAC1HDAC8GSK3BHDAC3HDAC4 | |
| SCHEMBL16098930 | 0.82 | HDAC1 (0.62) | HDAC1HDAC8GSK3BHDAC3HDAC4 | |
| SCHEMBL11280840 | 0.82 | GSK3B (0.63) | HDAC1HDAC8GSK3BHDAC3HDAC4 | |
| SCHEMBL2626830 | 0.80 | HDAC1 (0.61) | HDAC1HDAC8GSK3BHDAC3HDAC4 | |
| SCHEMBL12139286 | 0.80 | GSK3B (0.64) | HDAC1HDAC8GSK3BHDAC3HDAC4 | |
| SCHEMBL7741993 | 0.80 | HDAC8 (0.71) | HDAC1HDAC8GSK3BHDAC3HDAC4 | |
| SCHEMBL28761395 | 0.80 | HDAC1 (0.61) | HDAC1HDAC8GSK3BHDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1206262-A4 | NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2003-01-02 | — | — | EP | disclosed |
| EP-1206262-A1 | NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES | Bristol-Myers Squibb Company (US) | 2002-05-22 | — | — | EP | disclosed |
| US-6348472-B1 | ANOREXIGENIC AGENTS AND EATING DISORDERS | BRISTOL-MYERS SQUIBB COMPANY | 2002-02-19 | — | — | US | disclosed |
| WO-2001013917-A1 | NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-03-01 | — | — | WO | disclosed |