Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | CTSD | P07339 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23973910 | 1.00 | PDE7A (0.39) | PDE7AMMP2MMP13MMP9MMP8 | |
| SCHEMBL22111804 | 0.85 | CNR1 (0.43) | PDE7AMMP2MMP9MMP8CES1 | |
| SCHEMBL31003737 | 0.82 | PDE7A (0.39) | PDE7AMMP2MMP9MMP8CES1 | |
| SCHEMBL22111802 | 0.82 | PDE7A (0.39) | PDE7AMMP2MMP9MMP8CES1 | |
| SCHEMBL22111809 | 0.81 | LMNA (0.41) | PDE7AMMP2MMP9CES1CTSD | |
| SCHEMBL22111808 | 0.81 | LMNA (0.41) | PDE7AMMP2MMP9CES1CTSD | |
| SCHEMBL22111761 | 0.80 | CNR1 (0.53) | PDE7AMMP2MMP9MMP8CES1 | |
| SCHEMBL22076820 | 0.80 | CNR1 (0.53) | PDE7AMMP2MMP9MMP8CES1 | |
| SCHEMBL22111803 | 0.80 | CNR1 (0.53) | PDE7AMMP2MMP9MMP8CES1 | |
| SCHEMBL31003652 | 0.80 | CNR1 (0.53) | PDE7AMMP2MMP9MMP8CES1 |
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-2022087234-A1 | ANTICANCER COMPOUNDS SELECTIVE FOR ER-POSITIVE CANCERS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2022-04-28 | — | — | WO | disclosed |