Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1397470 | 0.82 | KMT2A (0.58) | KMT2APGRADRA2AADRA2BHTR2A | |
| SCHEMBL10819620 | 0.81 | LOXL2 (0.55) | KMT2ALOXL2HDAC3HDAC6NCOR2 | |
| SCHEMBL203283 | 0.79 | ALDH1A1 (0.61) | KMT2ALOXL2HDAC3HDAC6NCOR2 | |
| SCHEMBL13885490 | 0.79 | CES2 (0.65) | LOXL2HDAC3HDAC6NCOR2TAAR1 | |
| SCHEMBL28043316 | 0.78 | KMT2A (0.45) | KMT2APGRADRA2AADRA2BHTR2A | |
| SCHEMBL19859915 | 0.77 | LMNA (0.67) | LOXL2MDM2HDAC3HDAC6NCOR2 | |
| SCHEMBL19859914 | 0.77 | CES2 (0.67) | LOXL2MDM2HDAC3HDAC6NCOR2 | |
| SCHEMBL744661 | 0.77 | CES2 (0.63) | KMT2APGRADRA2AADRA2BHTR2A | |
| SCHEMBL7867720 | 0.77 | CES2 (0.59) | KMT2APGRADRA2AADRA2BHTR2A | |
| Hydrochloric Acid SCHEMBL2450035 | 0.77 | ALDH1A1 (0.58) | KMT2ALOXL2HDAC3HDAC6NCOR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105254483-A | Method for preparing 2-methyl-1,3-dicarbonyl derivative | UNIV SOOCHOW | 2016-01-20 | — | — | CN | disclosed |