Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 3/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28193895 | 0.88 | PARP1 (0.41) | PARP1KDM4EALDH1A1GAAIRAK4 | |
| SCHEMBL29782510 | 0.76 | CNR1 (0.43) | PARP1KDM4EALDH1A1PDPK1HTR2A | |
| SCHEMBL9275405 | 0.76 | PARP1 (0.44) | PARP1KDM4EALDH1A1GAAPDPK1 | |
| SCHEMBL30082247 | 0.76 | PARP1 (0.44) | PARP1KDM4EALDH1A1GAAPDPK1 | |
| SCHEMBL28165019 | 0.72 | PARP1 (0.41) | PARP1KDM4EALDH1A1GAAPDPK1 | |
| SCHEMBL19279316 | 0.71 | BTK (0.41) | PARP1ADRA1DPARP2PARP3PLK4 | |
| SCHEMBL18937450 | 0.67 | LPAR5 (0.34) | HTR2ADYRK1BKEAP1 | |
| SCHEMBL14917590 | 0.66 | EZH2 (0.48) | PARP1KDM4EALDH1A1GAAIRAK4 | |
| SCHEMBL28165043 | 0.66 | PARP1 (0.48) | PARP1KDM4EALDH1A1GAAIRAK4 | |
| SCHEMBL10203774 | 0.65 | SLC6A2 (0.43) | KDM4EALDH1A1GAAHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3889134-A1 | COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF | Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |