Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 4/20 | 0.38 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | PRKCG | P05129 | 1/20 | 0.33 |
| ▸ | PRKCB | P05771 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | PRKCH | P24723 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | PRKCE | Q02156 | 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 | |
|---|---|---|---|---|
| SCHEMBL29948257 | 1.00 | CCR4 (0.40) | CCR4HCRTR1HCRTR2CNR1NR1D1 | |
| SCHEMBL23630298 | 0.90 | CCR4 (0.41) | CCR4HCRTR1HCRTR2CNR1NR1D1 | |
| SCHEMBL23630437 | 0.90 | CCR4 (0.41) | CCR4HCRTR1HCRTR2CNR1NR1D1 | |
| SCHEMBL29948245 | 0.87 | NR1D1 (0.41) | CCR4HCRTR1HCRTR2CNR1NR1D1 | |
| SCHEMBL30225361 | 0.87 | NR1D1 (0.41) | CCR4HCRTR1HCRTR2CNR1NR1D1 | |
| SCHEMBL29948239 | 0.87 | NR1D1 (0.41) | CCR4HCRTR1HCRTR2CNR1NR1D1 | |
| SCHEMBL23630431 | 0.87 | NR1D1 (0.41) | CCR4HCRTR1HCRTR2CNR1NR1D1 | |
| SCHEMBL23630459 | 0.79 | KMT2A (0.55) | — | |
| SCHEMBL29948271 | 0.79 | KMT2A (0.55) | — | |
| SCHEMBL23630364 | 0.77 | CASP3 (0.43) | CCR4CASP3LMNA |
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-2021141506-A1 | AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE | Uniwersytet Jagielloński (PL) | 2021-07-15 | — | — | WO | claimed |
| WO-2021141506-A1 | AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE | Uniwersytet Jagielloński (PL) | 2021-07-15 | — | — | WO | disclosed |