Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27598527 | 0.89 | CYP2A6 (0.43) | CYP2A6MAOABACE1ENPP2ABL1 | |
| Tert-Butyl Formate SCHEMBL27584064 | 0.86 | CYP2A6 (0.43) | CYP2A6HDAC1HDAC8MAOAUSP2 | |
| Tert-Butyl Formate SCHEMBL27596761 | 0.84 | HDAC1 (0.41) | CYP2A6HDAC1HDAC8MAOAUSP2 | |
| Ethoxycarbonyl Group SCHEMBL28291607 | 0.83 | CYP2A6 (0.43) | CYP2A6HDAC1HDAC8MAOAUSP2 | |
| Tert-Butyl Formate SCHEMBL28031587 | 0.83 | CYP2A6 (0.40) | CYP2A6HDAC1HDAC8MAOABACE1 | |
| SCHEMBL951685 | 0.82 | USP2 (0.55) | CYP2A6HDAC1HDAC8MAOAUSP2 | |
| SCHEMBL30614296 | 0.82 | USP2 (0.55) | CYP2A6HDAC1HDAC8MAOAUSP2 | |
| Tert-Butyl Formate SCHEMBL27623661 | 0.81 | USP2 (0.64) | CYP2A6MAOAUSP2GAAALOX15 | |
| Tert-Butyl Formate SCHEMBL27591863 | 0.78 | AHR (0.64) | CYP2A6MAOAUSP2GAAALOX15 | |
| Tert-Butyl Formate SCHEMBL28000739 | 0.78 | CYP2A6 (0.46) | CYP2A6MAOAUSP2GAAALOX15 |
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-109563043-A | SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-04-02 | — | — | CN | disclosed |