Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 2/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ESRRG | P62508 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Demannose SCHEMBL529006 | 0.78 | KDM4E (0.40) | KDM4EALDH1A1MAPK1EGLN2PTPRC | |
| SCHEMBL3710132 | 0.68 | SMN1; SMN2 (0.40) | GLARAB9AKMT2A | |
| SCHEMBL5371901 | 0.66 | CA12 (0.45) | ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13705851 | 0.64 | KDM4E (0.61) | KDM4EALDH1A1MAPK1EGLN2RAB9A | |
| SCHEMBL1222443 | 0.64 | SMN1; SMN2 (0.57) | KDM4EALDH1A1MAPK1GLAEGLN2 | |
| SCHEMBL27113108 | 0.64 | PTPRC (0.59) | KDM4EALDH1A1MAPK1GLAEGLN2 | |
| SCHEMBL22215023 | 0.64 | KMT2A (0.50) | KDM4EALDH1A1MAPK1GLAEGLN2 | |
| Methyl Alcohol SCHEMBL6254729 | 0.63 | — | — | |
| SCHEMBL15142163 | 0.63 | SERPINE1 (0.44) | KDM4E | |
| SCHEMBL5664340 | 0.63 | SERPINE1 (0.44) | KDM4E |
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-2598873-A2 | BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME | Metabolon, Inc. (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012015904-A2 | BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME | METABOLON, INC. (US) | 2012-02-02 | — | — | WO | disclosed |