Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.53 |
| ▸ | VKORC1 | Q9BQB6 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19474619 | 0.90 | NQO1 (0.64) | NQO1MEN1KMT2AABCB11ALDH1A1 | |
| SCHEMBL21635532 | 0.84 | MEN1 (0.53) | NQO1MEN1KMT2AABCB11ALDH1A1 | |
| SCHEMBL1649087 | 0.78 | NQO1 (0.67) | NQO1MEN1KMT2AABCB11ALDH1A1 | |
| SCHEMBL14169915 | 0.77 | NQO1 (0.75) | NQO1MEN1KMT2AABCB11ALDH1A1 | |
| SCHEMBL23142675 | 0.76 | NQO1 (0.48) | NQO1MEN1KMT2AABCB11ALDH1A1 | |
| SCHEMBL8945430 | 0.75 | NPC1 (0.62) | NQO1MEN1KMT2AABCB11ALDH1A1 | |
| SCHEMBL7354775 | 0.74 | NQO1 (0.75) | NQO1MEN1KMT2AABCB11ALDH1A1 | |
| SCHEMBL1648171 | 0.74 | NQO1 (0.79) | NQO1MEN1KMT2AABCB11ALDH1A1 | |
| SCHEMBL10638322 | 0.73 | NQO1 (0.73) | NQO1MEN1KMT2AABCB11ALDH1A1 | |
| SCHEMBL27448032 | 0.72 | NQO1 (0.71) | NQO1MEN1KMT2AABCB11ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1511852-A4 | USE OF FLUORINE NMR FOR HIGH THROUGHPUT SCREENING | PHARMACIA & UPJOHN CO LLC (US) | 2008-07-16 | — | — | EP | disclosed |
| EP-1511988-A4 | METHODS FOR IDENTIFYING LIGANDS USING COMPETITIVE BINDING sp 1 /sp H NMR EXPERIMENTS | PHARMACIA & UPJOHN CO LLC (US) | 2005-07-06 | — | — | EP | disclosed |
| EP-1511988-A1 | METHODS FOR IDENTIFYING LIGANDS USING COMPETITIVE BINDING sp 1 /sp H NMR EXPERIMENTS | PHARMACIA & UPJOHN COMPANY (US) | 2005-03-09 | — | — | EP | disclosed |
| EP-1511852-A2 | USE OF FLUORINE NMR FOR HIGH THROUGHPUT SCREENING | PHARMACIA & UPJOHN COMPANY (US) | 2005-03-09 | — | — | EP | disclosed |
| WO-2004051214-A2 | USE OF FLUORINE NMR FOR HIGH THROUGHPUT SCREENING | PHARMACIA & UPJOHN COMPANY (US) | 2004-06-17 | — | — | WO | disclosed |
| WO-2003104778-A1 | METHODS FOR IDENTIFYING LIGANDS USING COMPETITIVE BINDING 1H NMR EXPERIMENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-12-18 | — | — | WO | disclosed |