Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | ADAMTS5 | Q9UNA0 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | QDPR | P09417 | 2/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | PTAFR | P25105 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL12174445 | 0.88 | ERN1 (0.44) | ERN1PRKDCPDE4APDE4BPDE4C | |
| SCHEMBL14641983 | 0.83 | ERN1 (0.43) | ERN1PRKDCPDE4APDE4BPDE4C | |
| SCHEMBL24439732 | 0.82 | ESR2 (0.31) | — | |
| SCHEMBL24313733 | 0.81 | DRD1 (0.34) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL24313743 | 0.80 | HTR2A (0.42) | ERN1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18366 | 0.75 | ERN1 (0.46) | ERN1PRKDCALDH1A1TSHRKDM4E | |
| SCHEMBL24313611 | 0.75 | ESR2 (0.36) | ERN1QDPRMAPT | |
| SCHEMBL14302791 | 0.75 | — | — | |
| SCHEMBL24313909 | 0.74 | NPY5R (0.30) | — | |
| SCHEMBL1645590 | 0.74 | ERN1 (0.62) | ERN1PRKDCALDH1A1TSHRKDM4E |
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-2022081842-A1 | SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER | THE BROAD INSTITUTE, INC. (US) | 2022-04-21 | — | — | WO | disclosed |
| WO-2020123395-A1 | 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2020-06-18 | — | — | WO | disclosed |