Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23529518 | 0.84 | CRHBP (0.49) | CRHBPCRHR2ESR1ESR2CYP2D6 | |
| SCHEMBL32684616 | 0.80 | CRHBP (0.56) | CRHBPCRHR2ESR1ESR2CYP2D6 | |
| SCHEMBL9875296 | 0.80 | CRHBP (0.60) | CRHBPCRHR2ESR1ESR2CYP2D6 | |
| SCHEMBL7019908 | 0.79 | CRHBP (0.58) | CRHBPCRHR2ESR1ESR2CYP2D6 | |
| SCHEMBL7019902 | 0.79 | CRHBP (0.54) | CRHBPCRHR2ESR1ESR2CYP2D6 | |
| SCHEMBL1133337 | 0.77 | CRHBP (0.53) | CRHBPCRHR2ESR1ESR2CYP2D6 | |
| SCHEMBL9368021 | 0.77 | CRHBP (0.53) | CRHBPCRHR2ESR1ESR2CYP2D6 | |
| SCHEMBL1203770 | 0.77 | CRHBP (0.53) | CRHBPCRHR2ESR1ESR2CYP2D6 | |
| SCHEMBL10996526 | 0.77 | CRHBP (0.53) | CRHBPCRHR2ESR1ESR2CYP2D6 | |
| SCHEMBL2159876 | 0.77 | CRHBP (0.53) | CRHBPCRHR2ESR1ESR2CYP2D6 |
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-105175277-B | A kind of inhibitor of 3 GAPD and its preparation method and application | 中山大学肿瘤防治中心 | 2018-04-03 | — | — | CN | disclosed |
| CN-105175277-A | Inhibitor of glyceraldehyde-3-phosphate dehydrogenase, preparation method and application thereof | UNIV SUN YAT SEN CANCER CT | 2015-12-23 | — | — | CN | disclosed |