Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.43 |
| ▸ | ABAT | P80404 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL544819 | 0.87 | AOC3 (0.56) | ESR1ALDH1A1MEN1HSP90AA1GAA | |
| Hydrochloric Acid SCHEMBL4825334 | 0.85 | AOC3 (0.54) | ESR1ALDH1A1MEN1HSP90AA1GAA | |
| SCHEMBL12016039 | 0.82 | TP53 (0.50) | ALDH1A1MEN1KMT2AAOC3TAS2R14 | |
| SCHEMBL9879437 | 0.82 | SLC6A2 (0.47) | CYP19A1MEN1KMT2AAOC3G6PC1 | |
| SCHEMBL8975208 | 0.81 | TSHR (0.55) | CYP19A1ESR1ALDH1A1MEN1HSP90AA1 | |
| SCHEMBL11874481 | 0.81 | ESR1 (0.66) | CYP19A1ESR1ALDH1A1MEN1HSP90AA1 | |
| Hydrochloric Acid SCHEMBL9518503 | 0.80 | SLC6A2 (0.46) | CYP19A1MEN1KMT2AAOC3G6PC1 | |
| SCHEMBL27493772 | 0.79 | ALDH1A1 (0.50) | ESR1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL4427377 | 0.78 | CRHBP (0.57) | CYP19A1ESR1ALDH1A1MEN1HSP90AA1 | |
| Hydrochloric Acid SCHEMBL28901400 | 0.77 | CRHBP (0.58) | CYP19A1ALDH1A1MEN1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105503747-A | Novel quinazoline derivative LU1507 as well as preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-04-20 | — | — | CN | disclosed |
| CN-105481835-A | Novel quinazoline derivative LU1508, and preparation method and application thereof | NANJING GENERAL HOSPITAL NANJING MILITARY AREA COMMAND PLA | 2016-04-13 | — | — | CN | disclosed |