Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.51 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CDC25A | P30304 | 3/20 | 0.35 |
| ▸ | CDC25C | P30307 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6250540 | 0.82 | NQO1 (0.49) | CES1NQO1ALDH1A1HPGDKMT2A | |
| SCHEMBL6503129 | 0.78 | CES1 (0.51) | CES1NQO1ALDH1A1HPGDKMT2A | |
| SCHEMBL29358751 | 0.78 | CES1 (0.51) | CES1NQO1ALDH1A1HPGDKMT2A | |
| SCHEMBL5716919 | 0.71 | CES1 (0.79) | CES1NQO1ALDH1A1HPGDKMT2A | |
| SCHEMBL4925761 | 0.70 | ALDH1A1 (0.38) | CES1ALDH1A1HPGDKMT2ALMNA | |
| SCHEMBL716372 | 0.69 | KMT2A (0.50) | CES1ALDH1A1HPGDKMT2ALMNA | |
| SCHEMBL7742191 | 0.69 | CES1 (0.39) | CES1ALDH1A1HPGDKMT2ALMNA | |
| SCHEMBL380656 | 0.68 | CES1 (1.00) | CES1NQO1ALDH1A1HPGDKMT2A | |
| SCHEMBL7213583 | 0.68 | CES1 (0.72) | CES1NQO1ALDH1A1HPGDKMT2A | |
| SCHEMBL87570 | 0.67 | CES1 (0.70) | CES1NQO1ALDH1A1HPGDKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE38723-E1 | Haloalkyl derivatives of reporter molecules used to analyze metabolic activity in cells | MOLECULAR PROBES, INC. (US) | 2005-04-12 | — | — | US | disclosed |
| EP-0603266-A4 | USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS. | MOLECULAR PROBES INC (US) | 1997-01-15 | — | — | EP | disclosed |
| EP-0603266-A1 | USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS | MOLECULAR PROBES, INC. (US) | 1994-06-29 | — | — | EP | disclosed |
| WO-1993004192-A1 | USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS | MOLECULAR PROBES, INC. (US) | 1993-03-04 | — | — | WO | disclosed |