Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 2/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7073376 | 0.88 | ALDH1A1 (0.46) | ALDH1A1KMT2AMMP2MMP13MMP3 | |
| SCHEMBL7074900 | 0.88 | F2 (0.45) | ALDH1A1POLBKMT2AGAALMNA | |
| SCHEMBL7079059 | 0.87 | ALDH1A1 (0.45) | ALDH1A1POLBKMT2AMEN1LMNA | |
| SCHEMBL7077837 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KMT2AMEN1GAALMNA | |
| SCHEMBL7075400 | 0.82 | F2 (0.45) | ALDH1A1POLBGAAMMP2KDM4E | |
| SCHEMBL7079922 | 0.82 | MMP2 (0.43) | ALDH1A1MMP2MMP13MMP3PDE4A | |
| SCHEMBL7078814 | 0.82 | MMP13 (0.48) | ALDH1A1MMP2MMP13MMP3PDE4A | |
| SCHEMBL7073767 | 0.81 | MMP13 (0.49) | ALDH1A1KMT2AMEN1MMP2TDP1 | |
| SCHEMBL7078057 | 0.79 | HSD11B1 (0.48) | ALDH1A1POLBKMT2AMEN1GAA | |
| SCHEMBL7078648 | 0.79 | FNTA (0.54) | ALDH1A1KMT2AMEN1LMNAMMP13 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003059872-A1 | AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-24 | — | — | WO | disclosed |
| WO-2003059872-A1 | AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-24 | — | — | WO | disclosed |