Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | PPME1 | Q9Y570 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 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 | |
|---|---|---|---|---|
| SCHEMBL3680330 | 1.00 | CES2 (0.47) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL3680288 | 0.85 | CES2 (0.47) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL3680287 | 0.85 | CES2 (0.47) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL9823228 | 0.79 | HPGD (0.40) | ALDH1A1LMNAMAPTHTT | |
| SCHEMBL10472439 | 0.77 | HPGD (0.39) | ALDH1A1LMNAMAPTHTTSMN1; SMN2 | |
| SCHEMBL10472437 | 0.77 | HPGD (0.39) | ALDH1A1LMNAMAPTHTT | |
| SCHEMBL10753333 | 0.77 | CES2 (0.43) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL10753337 | 0.77 | CES2 (0.43) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL10752112 | 0.72 | LMNA (0.53) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL10752119 | 0.72 | LMNA (0.53) | 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 |