Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.46 |
| ▸ | OGG1 | O15527 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8975154 | 0.81 | HDAC1 (0.61) | GSK3BHDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL6979093 | 0.80 | GSK3B (0.53) | GSK3BHDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL3412166 | 0.79 | GSK3B (0.57) | GSK3BHDAC1HDAC8HDAC3HDAC4 | |
| Water SCHEMBL27991728 | 0.79 | HDAC1 (0.59) | GSK3BHDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL7653421 | 0.79 | NPC1 (0.55) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL315304 | 0.78 | MAPT (0.56) | GSK3BHDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL11555145 | 0.76 | GSK3B (0.53) | GSK3BHDAC1HDAC8HDAC3HDAC4 | |
| Methoxyamine SCHEMBL27908334 | 0.76 | HDAC1 (0.50) | GSK3BHDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL301100 | 0.76 | GSK3B (0.64) | GSK3BHDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL27442726 | 0.76 | LMNA (0.57) | GSK3BCES2CES1OGG1CA1 |
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 |