Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.49 |
| ▸ | ITGAV | P06756 | 1/20 | 0.49 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL5737098 | 0.90 | NPC1 (0.53) | KMT2ATHRBALOX12NPC1POLB | |
| SCHEMBL2474659 | 0.81 | CNR1 (0.57) | ALDH1A1HTR3A | |
| SCHEMBL2479221 | 0.81 | CNR1 (0.57) | ALDH1A1HTR3A | |
| SCHEMBL4186674 | 0.76 | KMT2A (0.76) | KMT2ATHRBALOX12NPC1POLB | |
| SCHEMBL5950094 | 0.76 | THRB (0.61) | KMT2ATHRBALOX12NPC1POLB | |
| SCHEMBL5579279 | 0.76 | EPHX2 (0.47) | KMT2ANPC1POLBMEN1MAPT | |
| SCHEMBL16098798 | 0.74 | THRB (0.73) | KMT2ATHRBALOX12NPC1ITGB3 | |
| SCHEMBL20356097 | 0.74 | HTR3A (0.50) | HTR3A | |
| SCHEMBL5949980 | 0.74 | THRB (0.61) | KMT2ATHRBALOX12MEN1MAPT | |
| SCHEMBL5097404 | 0.74 | ALDH1A1 (0.66) | KMT2ATHRBALOX12POLBMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160195564-A1 | AUTOMATED SAMPLING AND REACTION SYSTEM FOR HIGH PRESSURE LIQUID CHROMATOGRAPHY AND OTHER TYPES OF DETECTION | WATERS TECHNOLOGIES CORPORATION (US) | 2016-07-07 | — | — | US | disclosed |