Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28229240 | 1.00 | KDM4E (0.42) | KDM4ESMN1; SMN2LOXL2BACE1PTGS1 | |
| SCHEMBL28229182 | 0.83 | CYP2D6 (0.44) | SMN1; SMN2LOXL2CYP2C9NFKB1TSHR | |
| SCHEMBL28229181 | 0.83 | CYP2D6 (0.44) | SMN1; SMN2LOXL2CYP2C9NFKB1TSHR | |
| SCHEMBL18920459 | 0.77 | CHRNA7 (0.50) | SMN1; SMN2LMNAALOX5 | |
| SCHEMBL18920460 | 0.77 | CHRNA7 (0.50) | SMN1; SMN2LMNAALOX5 | |
| SCHEMBL18946105 | 0.77 | CHRNA7 (0.50) | SMN1; SMN2LMNAALOX5 | |
| SCHEMBL1960706 | 0.77 | SRC (0.46) | PTGS1LMNACYP2C9ESR1CYP2D6 | |
| SCHEMBL10933400 | 0.77 | SRC (0.46) | PTGS1LMNACYP2C9ESR1CYP2D6 | |
| SCHEMBL628680 | 0.77 | ALDH1A1 (0.51) | KDM4ELMNAALOX5CYP2D6 | |
| SCHEMBL222001 | 0.77 | ALDH1A1 (0.51) | KDM4ELMNAALOX5CYP2D6 |
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-108349965-A | 1,3,4- thiadiazole compounds and its purposes in treating cancer | 阿斯利康(瑞典)有限公司 | 2018-07-31 | — | — | CN | disclosed |