Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | MMP8 | P22894 | 1/20 | 0.55 |
| ▸ | MMP13 | P45452 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14094466 | 0.87 | CA1 (0.56) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL14990815 | 0.86 | CA1 (0.59) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL23779409 | 0.86 | CA1 (0.55) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL23779402 | 0.86 | CA1 (0.59) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL14990813 | 0.86 | CA1 (0.59) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL23779412 | 0.86 | CA1 (0.55) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL27870758 | 0.84 | CA1 (0.59) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL27917300 | 0.84 | CA1 (0.59) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL566411 | 0.83 | CA1 (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL566412 | 0.83 | CA1 (0.47) | CA1CA2MMP1MMP2MMP9 |
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-102448941-B | The isoquinilone derivatives replaced | D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) | 2016-04-06 | — | — | CN | disclosed |