Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTBP2 | P56545 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8953320 | 0.75 | CYP1A2 (0.51) | CTBP2USP2CYP1A2MAOBRAB9A | |
| SCHEMBL8953325 | 0.75 | CYP1A2 (0.51) | CTBP2USP2CYP1A2MAOBRAB9A | |
| Fumaric Acid SCHEMBL8865674 | 0.74 | GPR52 (0.44) | USP2CYP1A2MAOBRAB9AKIF11 | |
| Maleic Acid SCHEMBL8865662 | 0.74 | GPR52 (0.44) | USP2CYP1A2MAOBRAB9AKIF11 | |
| SCHEMBL21602082 | 0.74 | CYP1A2 (0.52) | CTBP2USP2CYP1A2MEN1KMT2A | |
| SCHEMBL28085847 | 0.74 | CYP1A2 (0.52) | CTBP2USP2CYP1A2MEN1KMT2A | |
| SCHEMBL5308325 | 0.74 | KIF11 (0.50) | MAOBKIF11 | |
| SCHEMBL23256417 | 0.73 | MAPT (0.46) | CYP1A2KMT2AKIF11HIF1A | |
| SCHEMBL14166571 | 0.73 | CYP2C9 (0.49) | MAOBRAB9AMEN1KMT2ALMNA | |
| SCHEMBL1356271 | 0.72 | AKR1C3 (0.52) | RAB9ALMNAKIF11KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-108349967-B | 1,3, 4-thiadiazole compounds and their use in the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2022-02-15 | — | — | CN | disclosed |