Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | TYK2 | P29597 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3680605 | 1.00 | CES2 (0.41) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL3678610 | 0.87 | GAA (0.41) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL3678608 | 0.87 | GAA (0.41) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL10753337 | 0.78 | CES2 (0.43) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL10753333 | 0.78 | CES2 (0.43) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL3682739 | 0.75 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPTHTTSMN1; SMN2 | |
| SCHEMBL3682737 | 0.75 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPTHTTSMN1; SMN2 | |
| SCHEMBL15066533 | 0.75 | CES2 (0.47) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL15066534 | 0.75 | CES2 (0.47) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL13955584 | 0.72 | CES2 (0.40) | CES2CES1ALDH1A1LMNAMAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7727967-B2 | Cyanooxime inhibitors of carbonyl reductase and methods of using said inhibitors in treatments involving anthracyclines | BOISE STATE UNIVERSITY (US) | 2010-06-01 | — | — | US | claimed |
| US-20080182804-A1 | CYANOOXIME INHIBITORS OF CARBONYL REDUCTASE AND METHODS OF USING SAID INHIBITORS IN TREATMENTS INVOLVING ANTHRACYCLINES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2008-07-31 | — | — | US | claimed |
| US-7781412-B2 | Biphenyl inhibitors of carbonyl reductase | BOISE STATE UNIVERSITY (US) | 2010-08-24 | — | — | US | disclosed |
| US-7727967-B2 | Cyanooxime inhibitors of carbonyl reductase and methods of using said inhibitors in treatments involving anthracyclines | BOISE STATE UNIVERSITY (US) | 2010-06-01 | — | — | US | disclosed |
| WO-2009048760-A2 | BIPHENYL INHIBITORS OF CARBONYL REDUCTASE | BOISE STATE UNIVERSITY (US) | 2009-04-16 | — | — | WO | disclosed |
| US-20080227731-A1 | BIPHENYL INHIBITORS OF CARBONYL REDUCTASE | BOISE STATE UNIVERSITY (US) | 2008-09-18 | — | — | US | disclosed |
| US-20080182804-A1 | CYANOOXIME INHIBITORS OF CARBONYL REDUCTASE AND METHODS OF USING SAID INHIBITORS IN TREATMENTS INVOLVING ANTHRACYCLINES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2008-07-31 | — | — | US | disclosed |
| US-20080182804-A1 | CYANOOXIME INHIBITORS OF CARBONYL REDUCTASE AND METHODS OF USING SAID INHIBITORS IN TREATMENTS INVOLVING ANTHRACYCLINES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2008-07-31 | — | — | US | disclosed |