Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4027564 | 0.82 | ALDH1A1 (0.48) | TDP1ALDH1A1HPGDGLAMAPT | |
| SCHEMBL3390062 | 0.81 | PIK3CD (0.48) | TDP1ALDH1A1HPGDGLAMAPT | |
| SCHEMBL7853736 | 0.81 | PIK3CD (0.47) | TDP1ALDH1A1HPGDGLAMAPT | |
| SCHEMBL286920 | 0.80 | TLR8 (0.54) | TDP1TLR8 | |
| SCHEMBL7068280 | 0.78 | TDP1 (0.55) | TDP1ALDH1A1HPGDGLAMAPT | |
| SCHEMBL12014829 | 0.78 | PSMB5 (0.62) | TDP1ALDH1A1HPGDGLAMAPT | |
| SCHEMBL28275883 | 0.78 | TLR8 (0.44) | TDP1ALDH1A1HPGDGLAMAPT | |
| SCHEMBL5197442 | 0.77 | ALDH1A1 (0.46) | TDP1ALDH1A1HPGDGLAMAPT | |
| Iodide SCHEMBL28594292 | 0.77 | PSMB5 (0.60) | TDP1ALDH1A1HPGDGLAMAPT | |
| SCHEMBL17179261 | 0.77 | ALDH1A1 (0.58) | TDP1ALDH1A1HPGDGLAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3325497-A1 | QUINSTATIN COMPOUNDS | Pettit, George, Robert (US) | 2018-05-30 | — | — | EP | disclosed |
| WO-2017019489-A1 | QUINSTATIN COMPOUNDS | PETTIT GEORGE ROBERT (US) | 2017-02-02 | — | — | WO | disclosed |
| EP-1879563-A4 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2008-07-16 | — | — | EP | disclosed |
| EP-1879563-A2 | NOVEL CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006132739-A2 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-12-14 | — | — | WO | disclosed |