Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 4/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.36 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20102297 | 0.82 | CYP2E1 (0.45) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL23093177 | 0.80 | ERN1 (0.42) | CA1CA2CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL15697989 | 0.80 | TLR8 (0.47) | EGFRCYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL21187523 | 0.78 | ERN1 (0.45) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL23092929 | 0.77 | CA1 (0.47) | CA1CA2EGFRSRCERN1 | |
| SCHEMBL23108299 | 0.77 | CA1 (0.44) | CA1CA2EGFRCYP2C9CYP2C19 | |
| SCHEMBL18415118 | 0.76 | ALDH1A1 (0.40) | EGFRCYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL8498483 | 0.75 | ERN1 (0.49) | CA1CA2EGFRSRCERN1 | |
| SCHEMBL29039475 | 0.75 | TYK2 (0.45) | CA1CA2 | |
| SCHEMBL20102296 | 0.72 | HCRTR1 (0.43) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 |
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 2 patents. 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 |
| WO-2021050688-A1 | COMPOUNDS AND USES THEREOF | X-CHEM, INC. (US) | 2021-03-18 | — | — | WO | disclosed |