Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 5/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11721973 | 0.80 | KCNN4 (0.50) | KCNN4KIF11ALDH1A1ALOX15HDAC3 | |
| Hydrochloric Acid SCHEMBL11723541 | 0.78 | KCNN4 (0.48) | KCNN4KIF11ALDH1A1ALOX15HDAC3 | |
| SCHEMBL8226385 | 0.76 | KCNN4 (0.50) | KCNN4KIF11ALDH1A1HDAC3HDAC4 | |
| SCHEMBL4078488 | 0.71 | KCNN4 (0.44) | KCNN4KIF11ALDH1A1MAPTKMT2A | |
| SCHEMBL316124 | 0.71 | KCNN4 (0.55) | KCNN4KIF11ALDH1A1ALOX15HDAC3 | |
| SCHEMBL2549817 | 0.70 | KCNN4 (0.54) | KCNN4KIF11ALDH1A1ALOX15HDAC3 | |
| SCHEMBL10825012 | 0.70 | KCNN4 (0.48) | KCNN4KIF11ALDH1A1ALOX15HDAC3 | |
| SCHEMBL6906467 | 0.69 | KDM4E (0.55) | KCNN4ALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL24400266 | 0.68 | KCNN4 (0.52) | KCNN4KIF11ALDH1A1HDAC3HDAC4 | |
| SCHEMBL28266739 | 0.68 | HDAC3 (0.42) | KCNN4ALDH1A1HDAC3HDAC4HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1252162-A4 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-06-11 | — | — | EP | disclosed |
| EP-1252162-A1 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001053297-A1 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2001-07-26 | — | — | WO | disclosed |