Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYD88 | Q99836 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP5 | P51878 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL30205259 | 0.91 | MYD88 (0.59) | MYD88ALDH1A1LMNAMAPTCYP3A4 | |
| SCHEMBL30205266 | 0.83 | CA1 (0.45) | MYD88MAPTPOLBCA12CA1 | |
| SCHEMBL28954891 | 0.72 | MYD88 (0.85) | MYD88ALDH1A1LMNAMAPTHTT | |
| SCHEMBL30585285 | 0.72 | ALDH1A1 (0.46) | MYD88ALDH1A1LMNAHTTABCC1 | |
| SCHEMBL28954834 | 0.69 | MYD88 (0.64) | MYD88ALDH1A1LMNAMAPTHTT | |
| SCHEMBL29078361 | 0.69 | MYD88 (0.55) | MYD88ALDH1A1LMNAHTTPOLB | |
| SCHEMBL209309 | 0.68 | TRPV6 (0.41) | MYD88ALDH1A1MAPTNPBWR1MCHR1 | |
| SCHEMBL30585270 | 0.67 | ALDH1A1 (0.46) | ALDH1A1LMNAHTTABCB1ABCG2 | |
| SCHEMBL29078394 | 0.66 | MEN1 (0.60) | MYD88ALDH1A1LMNAMAPTHTT | |
| SCHEMBL11556531 | 0.66 | MAPK1 (0.69) | ALDH1A1LMNAMAPTABCC1SMN1; SMN2 |
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-115710251-A | Myeloid differentiation factor 88 inhibitor and preparation method and application thereof | 杭州医学院 | 2023-02-24 | — | — | CN | disclosed |