Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447268 | 0.89 | KDM4E (0.40) | KDM4ECYP2C19POLBMAPTMAPK1 | |
| SCHEMBL4022595 | 0.73 | CYP2C19 (0.68) | CYP2C19CNR2HDAC4HDAC7HDAC5 | |
| SCHEMBL27338142 | 0.73 | FFAR1 (0.45) | CYP2C19POLBMAPTMAPK1CYP2D6 | |
| SCHEMBL20826236 | 0.72 | HDAC4 (0.44) | KDM4ECYP2C19POLBMAPTMAPK1 | |
| SCHEMBL27433662 | 0.71 | CYP2C19 (0.47) | CYP2C19MAPTMAPK1CYP2D6ALDH1A1 | |
| SCHEMBL25242939 | 0.70 | HDAC4 (0.47) | KDM4ECYP2C19POLBMAPTMAPK1 | |
| SCHEMBL31038318 | 0.70 | HDAC4 (0.47) | KDM4ECYP2C19POLBMAPTMAPK1 | |
| SCHEMBL7216851 | 0.70 | HDAC4 (0.44) | CYP26A1CNR2HDAC4HDAC7HDAC5 | |
| SCHEMBL9114061 | 0.70 | CYP2C19 (0.67) | CYP2C19ALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL29449418 | 0.70 | HDAC4 (0.50) | KDM4ECYP2C19POLBMAPTMAPK1 |
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-1105389-A4 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2001-10-17 | — | — | EP | disclosed |
| EP-1105389-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2001-06-13 | — | — | EP | disclosed |
| US-6090944-A | Alkanoic acid derivatives as αv integrin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| WO-2000009503-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-02-24 | — | — | WO | disclosed |