Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.59 |
| ▸ | AXL | P30530 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.48 |
| ▸ | BMP4 | P12644 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24181740 | 0.75 | BMP4 (0.47) | SMPD3AXLCDK2IRAK4BMP4 | |
| SCHEMBL84781 | 0.75 | SMPD3 (0.60) | SMPD3AXLCDK2IRAK4BMP4 | |
| SCHEMBL5791049 | 0.75 | SMPD3 (1.00) | SMPD3AXLCDK2IRAK4BMP4 | |
| SCHEMBL22792265 | 0.74 | SMPD3 (0.50) | SMPD3AXLCDK2IRAK4BMP4 | |
| Hydrochloric Acid SCHEMBL7798075 | 0.73 | SMPD3 (0.96) | SMPD3AXLCDK2IRAK4BMP4 | |
| SCHEMBL20347030 | 0.71 | IRAK4 (0.52) | SMPD3AXLIRAK4ALDH1A1LMNA | |
| SCHEMBL15336871 | 0.71 | SMPD3 (0.60) | SMPD3AXLCDK2IRAK4BMP4 | |
| SCHEMBL28947639 | 0.71 | SMPD3 (0.66) | SMPD3AXLCDK2IRAK4BMP4 | |
| SCHEMBL1693808 | 0.71 | AXL (1.00) | SMPD3AXLCDK2IRAK4BMP4 | |
| SCHEMBL803428 | 0.70 | SMPD3 (0.55) | SMPD3AXLCDK2IRAK4BMP4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4180434-A1 | PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Haisco Pharmaceutical Co., Ltd. (CN) | 2023-05-17 | — | — | EP | disclosed |
| WO-2022007966-A1 | PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川海思科制药有限公司 | 2022-01-13 | — | — | WO | disclosed |