Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 18/20 | 0.58 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.56 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.56 |
| ▸ | IRAK3 | Q9Y616 | 2/20 | 0.56 |
| ▸ | BTK | Q06187 | 3/20 | 0.53 |
| ▸ | AR | P10275 | 4/20 | 0.50 |
| ▸ | CCNC | P24863 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.49 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.49 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | ITK | Q08881 | 1/20 | 0.46 |
| ▸ | DDB1 | Q16531 | 5/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27176462 | 0.89 | CRBN (0.65) | CRBNIRAK1IRAK4IRAK3BTK | |
| SCHEMBL27176460 | 0.87 | CRBN (0.65) | CRBNIRAK1IRAK4IRAK3BTK | |
| SCHEMBL22940308 | 0.86 | CRBN (0.59) | CRBNIRAK1IRAK4IRAK3BTK | |
| SCHEMBL29132157 | 0.86 | CRBN (0.63) | CRBNIRAK1IRAK4IRAK3BTK | |
| SCHEMBL27028395 | 0.86 | CRBN (0.63) | CRBNIRAK1IRAK4IRAK3BTK | |
| SCHEMBL21855314 | 0.85 | CRBN (0.67) | CRBNDDB1HPGDS | |
| SCHEMBL29132165 | 0.85 | CRBN (0.62) | CRBNIRAK1IRAK4IRAK3BTK | |
| SCHEMBL29841537 | 0.85 | CRBN (0.66) | CRBNDDB1HPGDS | |
| SCHEMBL24206811 | 0.85 | CRBN (0.66) | CRBNDDB1HPGDS | |
| SCHEMBL29975836 | 0.85 | CRBN (0.59) | CRBNIRAK1IRAK4IRAK3BTK |
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-2021262693-A1 | METHOTREXATE ANALOGS AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2021-12-30 | — | — | WO | disclosed |