Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28670610 | 0.91 | CA1 (0.42) | CA1CA2CA9CA5AMMP1 | |
| SCHEMBL28005990 | 0.86 | CA1 (0.47) | CA1CA2CA9CA5AMMP1 | |
| SCHEMBL30545879 | 0.85 | CA1 (0.69) | CA1CA2CA9CA5ANPC1 | |
| SCHEMBL427915 | 0.85 | CA1 (0.69) | CA1CA2CA9CA5ANPC1 | |
| Benzene SCHEMBL27506311 | 0.83 | CA1 (0.67) | CA1CA2CA9CA5ANPC1 | |
| SCHEMBL10499606 | 0.82 | HSD17B10 (0.56) | CA1CA2CA9CA5AMMP2 | |
| SCHEMBL397344 | 0.82 | CA1 (0.50) | CA1CA2CA9CA5AMMP1 | |
| SCHEMBL7917646 | 0.81 | CA1 (0.42) | CA1CA2CA9CA5AMMP1 | |
| SCHEMBL9510848 | 0.80 | NPC1 (0.53) | CA1CA2CA9CA5AMMP1 | |
| SCHEMBL2458287 | 0.80 | TSHR (0.65) | CA1CA2CA9CA5ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113646931-B | Nonaqueous electrolyte for battery and lithium secondary battery | 三井化学株式会社 | 2024-09-10 | — | — | CN | disclosed |
| CN-113646931-A | Nonaqueous electrolyte for battery and lithium secondary battery | 三井化学株式会社 | 2021-11-12 | — | — | CN | disclosed |