Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 4/20 | 0.44 |
| ▸ | F10 | P00742 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL5857867 | 0.88 | GABBR2 (0.50) | MAPTFNTAFNTBHDAC4HDAC7 | |
| SCHEMBL12268202 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KDM4EMAPTFNTAFNTB | |
| SCHEMBL1811811 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KDM4EMAPTFNTAFNTB | |
| SCHEMBL14691022 | 0.83 | FNTA (0.51) | ALDH1A1F2F10MAPTFNTA | |
| SCHEMBL27788467 | 0.82 | FFAR1 (0.46) | HDAC4HDAC7HDAC5CNR2CYP26A1 | |
| SCHEMBL6581023 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPTFNTAFNTBCYP2D6 | |
| SCHEMBL6581020 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPTFNTAFNTBCYP2D6 | |
| SCHEMBL6581305 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPTFNTAFNTBCYP2D6 | |
| SCHEMBL7682611 | 0.81 | F2 (0.41) | ALDH1A1KDM4EF2F10MAPT | |
| SCHEMBL8770903 | 0.81 | L3MBTL1 (0.49) | ALDH1A1KDM4EMAPTPOLBMAPK1 |
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 |