Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.61 |
| ▸ | BCHE | P06276 | 3/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | IGF1R | P08069 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | PLAU | P00749 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3024493 | 1.00 | CYP1A2 (0.65) | CYP1A2SIGMAR1BCHEHTR2ACYP2A6 | |
| SCHEMBL3941594 | 0.96 | CYP1A2 (0.65) | CYP1A2SIGMAR1BCHECYP2A6IGF1R | |
| SCHEMBL30746339 | 0.93 | SIGMAR1 (0.68) | CYP1A2SIGMAR1BCHEHTR2ACYP2A6 | |
| SCHEMBL8670812 | 0.91 | PLAU (0.59) | CYP1A2SIGMAR1BCHECYP2A6KMT2A | |
| SCHEMBL30418669 | 0.89 | SIGMAR1 (0.68) | CYP1A2SIGMAR1BCHEHTR2ACYP2A6 | |
| SCHEMBL9373302 | 0.87 | SIGMAR1 (0.68) | CYP1A2SIGMAR1 | |
| SCHEMBL30418043 | 0.86 | SIGMAR1 (0.66) | CYP1A2SIGMAR1HTR2ACYP2A6HDAC1 | |
| SCHEMBL16113741 | 0.86 | CYP1A2 (0.59) | CYP1A2SIGMAR1CYP2A6IGF1RALOX15 | |
| SCHEMBL2303342 | 0.86 | SIGMAR1 (0.56) | CYP1A2SIGMAR1BCHECYP2A6IGF1R | |
| SCHEMBL8091487 | 0.84 | SIGMAR1 (0.70) | SIGMAR1HRH3 |
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-110627626-B | Preparation method of propargyl acetone compound | 内蒙古大学 | 2022-04-26 | — | — | CN | disclosed |