Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | ERN1 | O75460 | 3/20 | 0.48 |
| ▸ | TLR2 | O60603 | 1/20 | 0.48 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.48 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2787203 | 0.87 | CA1 (0.73) | CA1CA2SRCERN1TLR2 | |
| O-Veratraldehyde SCHEMBL319070 | 0.79 | SRC (0.67) | CA1CA2SRCERN1TLR2 | |
| O-Veratraldehyde SCHEMBL29923149 | 0.79 | SRC (0.67) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL1597634 | 0.79 | CA1 (0.63) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL14292801 | 0.79 | CA1 (0.44) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL3421185 | 0.78 | CA1 (0.72) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL11440560 | 0.78 | CA1 (0.61) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL9212970 | 0.78 | CA1 (0.61) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL1709967 | 0.78 | CA1 (0.61) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL470709 | 0.78 | CA1 (1.00) | CA1CA2SRCERN1TLR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021050688-A1 | COMPOUNDS AND USES THEREOF | X-CHEM, INC. (US) | 2021-03-18 | — | — | WO | disclosed |