Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3743046 | 0.76 | TDP1 (0.35) | CYP2C19NPSR1MEN1KMT2ATDP1 | |
| SCHEMBL13170163 | 0.71 | MMP2 (0.47) | CYP2C9CYP2C19NPSR1L3MBTL1MMP2 | |
| SCHEMBL3239526 | 0.70 | ACHE (0.43) | TDP1L3MBTL1PTPN1 | |
| SCHEMBL11220616 | 0.68 | ACHE (0.45) | PTPN1 | |
| SCHEMBL22096937 | 0.67 | CYP2C9 (0.37) | CYP2C9CYP2C19NPSR1MEN1KMT2A | |
| SCHEMBL16175058 | 0.61 | KMT2A (0.50) | CYP2C19MEN1KMT2ATDP1MMP2 | |
| SCHEMBL16174838 | 0.60 | KMT2A (0.53) | CYP2C19MEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL28548234 | 0.59 | HCAR2 (0.53) | MMP2MMP9CYP1A2SMN1; SMN2HCAR3 | |
| SCHEMBL19809441 | 0.59 | OPRM1 (0.42) | CYP2C9CYP2C19NPSR1MEN1KMT2A | |
| Butylbenzyl SCHEMBL16051 | 0.58 | SIGMAR1 (0.59) | MEN1KMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3896053-A1 | METHOD FOR DIRECTLY CONSTRUCTING TETRA-SUBSTITUTED ALLENIC ACID COMPOUND HAVING HIGH OPTICAL ACTIVITY | Fudan University (CN) | 2021-10-20 | — | — | EP | disclosed |