Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21359560 | 0.85 | IDO1 (0.50) | IDO1ROCK2ROCK1MIFAKT1 | |
| SCHEMBL21359390 | 0.85 | MIF (0.51) | ROCK2ROCK1MIFAKT1AKT2 | |
| SCHEMBL21359427 | 0.81 | XDH (0.48) | ROCK2ROCK1MIFAKT1AKT2 | |
| SCHEMBL21359482 | 0.81 | XDH (0.51) | IDO1ROCK2ROCK1MIF | |
| SCHEMBL19029524 | 0.80 | GRIK1 (0.56) | ROCK2ROCK1AKT1AKT2ACLY | |
| SCHEMBL21359318 | 0.80 | MIF (0.47) | IDO1ROCK2ROCK1MIFAKT1 | |
| SCHEMBL21359523 | 0.80 | MIF (0.66) | ROCK2ROCK1MIFAKT1AKT2 | |
| SCHEMBL21359486 | 0.79 | MIF (0.51) | ROCK2ROCK1MIF | |
| SCHEMBL21359432 | 0.77 | PTPN11 (0.47) | ROCK2ROCK1MIF | |
| SCHEMBL21359470 | 0.77 | XDH (0.48) | IDO1ROCK2ROCK1MIFMELK |
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-2019178480-A1 | PYRAZOLE-CONTAINING MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS | YALE UNIVERSITY (US) | 2019-09-19 | — | — | WO | disclosed |