Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 3/20 | 0.35 |
| ▸ | TLR2 | O60603 | 1/20 | 0.35 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.35 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL23092919 | 0.81 | ERN1 (0.41) | CA1CA2ALDH1A1ERN1TLR2 | |
| SCHEMBL23092929 | 0.79 | CA1 (0.47) | CA1CA2EGFRSRCERN1 | |
| SCHEMBL23092877 | 0.77 | CA1 (0.45) | CA1CA2ALDH1A1EGFRSRC | |
| SCHEMBL23107891 | 0.72 | CA1 (0.43) | CA1CA2ALDH1A1EGFRSRC | |
| SCHEMBL8498483 | 0.71 | ERN1 (0.49) | CA1CA2ALDH1A1EGFRSRC | |
| SCHEMBL29039475 | 0.71 | TYK2 (0.45) | CA1CA2 | |
| SCHEMBL5734075 | 0.70 | CA1 (0.54) | CA1CA2ALDH1A1EGFRSRC | |
| SCHEMBL2787203 | 0.70 | CA1 (0.73) | CA1CA2ALDH1A1SRCERN1 | |
| SCHEMBL5373060 | 0.69 | CA1 (0.53) | CA1CA2ALDH1A1EGFRSRC | |
| SCHEMBL5734083 | 0.69 | CA1 (0.49) | CA1CA2ALDH1A1EGFRSRC |
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 |