Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1008397 | 0.94 | NPSR1 (0.44) | NPSR1ALDH1A1CES1CYP3A4CYP2C19 | |
| SCHEMBL1067570 | 0.86 | NPSR1 (0.41) | NPSR1ALDH1A1CES1MAPTCYP3A4 | |
| SCHEMBL9505610 | 0.80 | NPSR1 (0.40) | NPSR1ALDH1A1CES1CYP3A4CYP2C19 | |
| SCHEMBL3938034 | 0.79 | NPSR1 (0.43) | NPSR1ALDH1A1CES1CYP3A4CYP2C19 | |
| SCHEMBL1013201 | 0.78 | TDP1 (0.37) | NPSR1ALDH1A1CES1MAPTCYP3A4 | |
| SCHEMBL7827701 | 0.78 | NPSR1 (0.41) | NPSR1ALDH1A1CES1CYP3A4CYP2C19 | |
| SCHEMBL28247945 | 0.78 | NPSR1 (0.41) | NPSR1ALDH1A1CES1CYP3A4CYP2C19 | |
| SCHEMBL11370851 | 0.78 | NPSR1 (0.41) | NPSR1ALDH1A1CES1CYP3A4CYP2C19 | |
| SCHEMBL2465771 | 0.78 | ALDH1A1 (0.54) | NPSR1ALDH1A1MAPTCYP3A4CYP2C19 | |
| SCHEMBL530567 | 0.76 | MLYCD (0.49) | NPSR1ALDH1A1CES1POLBTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268623-A1 | QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009117080-A1 | QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATON (US) | 2009-09-24 | — | — | WO | disclosed |