Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28452635 | 1.00 | ABCG2 (0.41) | ABCG2ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL21827659 | 0.93 | MAPK1 (0.35) | ABCG2ALDH1A1MAPTMAPK1KDM4E | |
| SCHEMBL28541140 | 0.86 | ALDH1A1 (0.43) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL21219198 | 0.85 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL3889830 | 0.84 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL22973084 | 0.83 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL21751770 | 0.83 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL28631026 | 0.83 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL28559501 | 0.83 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E | |
| SCHEMBL28427275 | 0.83 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTMAPK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101921263-A | 2-metridazloe derivative as well as application and preparation method thereof | UNIV LANZHOU | 2010-12-22 | — | — | CN | claimed |
| CN-113801163-A | II-type pyruvate kinase inhibitor based on organic arsenic and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2021-12-17 | — | — | CN | disclosed |
| EP-3458111-A1 | PET-IMAGING IMMUNOMODULATORS | Bristol-Myers Squibb Company (US) | 2019-03-27 | — | — | EP | disclosed |
| WO-2017201111-A1 | PET-IMAGING IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-11-23 | — | — | WO | disclosed |
| CN-101921263-A | 2-metridazloe derivative as well as application and preparation method thereof | UNIV LANZHOU | 2010-12-22 | — | — | CN | disclosed |