Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 7/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21769359 | 0.78 | RECQL (0.43) | CYP2C19ALDH1A1MAPTTSHRCA12 | |
| SCHEMBL22959260 | 0.71 | RAPGEF4 (0.34) | ALDH1A1CA1CA2NLRP3SMN1; SMN2 | |
| SCHEMBL25822650 | 0.71 | NFKB1 (0.40) | NFKB1NFKB2RELALCKCYP2C9 | |
| SCHEMBL3131919 | 0.70 | LCK (0.60) | NFKB1NFKB2RELALCKALDH1A1 | |
| SCHEMBL25047 | 0.70 | NFKB1 (0.42) | NFKB1NFKB2RELALCKMAPT | |
| Glycine SCHEMBL27580905 | 0.69 | LMNA (0.54) | NFKB1NFKB2RELALCKALDH1A1 | |
| SCHEMBL22666755 | 0.67 | CA1 (0.33) | ALDH1A1MAPTCA1CA2NLRP3 | |
| SCHEMBL11181297 | 0.67 | KDM4E (0.32) | ALDH1A1MAPTTSHR | |
| SCHEMBL31636878 | 0.67 | NFKB1 (0.40) | NFKB1NFKB2RELALCKNPSR1 | |
| SCHEMBL23453153 | 0.66 | CA12 (0.50) | LCKMAPTCA12CA1CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4201936-A1 | HETEROAROMATIC RING COMPOUND AS RET KINASE INHIBITOR, AND PREPARATION AND USE THEREOF | Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) | 2023-06-28 | — | — | EP | disclosed |
| EP-3992197-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUNDS, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Applied Pharmaceutical Science, Inc. (CN) | 2022-05-04 | — | — | EP | disclosed |
| EP-3845531-A1 | SUBSTITUTED PYRAZOLE FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | Applied Pharmaceutical Science, Inc. (CN) | 2021-07-07 | — | — | EP | disclosed |