Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 5/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13306592 | 1.00 | HSD17B3 (0.56) | HSD17B3APPHDAC3HDAC4HDAC1 | |
| SCHEMBL6535451 | 0.76 | KMT2A (0.50) | APPMAOBPTGS1MAPTMAOA | |
| SCHEMBL6535242 | 0.76 | KMT2A (0.50) | APPMAOBPTGS1MAPTMAOA | |
| SCHEMBL24740555 | 0.76 | APP (0.59) | HSD17B3APPHDAC3HDAC4HDAC1 | |
| SCHEMBL10411806 | 0.76 | APP (0.59) | HSD17B3APPHDAC3HDAC4HDAC1 | |
| SCHEMBL10411804 | 0.76 | APP (0.59) | HSD17B3APPHDAC3HDAC4HDAC1 | |
| SCHEMBL22359184 | 0.74 | APP (0.57) | HSD17B3APPHDAC3HDAC4HDAC1 | |
| SCHEMBL9967773 | 0.74 | APP (0.59) | HSD17B3APPRELAPTGS1MAPT | |
| SCHEMBL29332628 | 0.73 | APP (0.44) | HSD17B3APPMAOBRELAPTGS1 | |
| SCHEMBL3050207 | 0.72 | HSD17B3 (1.00) | HSD17B3APPHDAC3HDAC4HDAC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1038018-A4 | ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES | SCRIPPS RESEARCH INST (US) | 2004-10-13 | — | — | EP | disclosed |
| US-6589766-B1 | Use to catalyze ketone-ketone, ketone-aldehyde, aldehyde-ketone, and aldehyde-aldehyde intermolecular aldol reactions, and in some cases to catalyze their subsequent dehydration to yield aldol condensation products | THE SCRIPPS RESEARCH INSTITUTE | 2003-07-08 | — | — | US | disclosed |
| US-6326176-B1 | ALDOL CONDENSATIONS AND CATALYTIC ANTIBODIES | THE SCRIPPS RESEARCH INSTITUTE | 2001-12-04 | — | — | US | disclosed |
| EP-1038018-A1 | ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES | The Scripps Research Institute (US) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999031263-A1 | ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1999-06-24 | — | — | WO | disclosed |